############################################################################################################################################################### ## ************************************************************************************************************************************************************ ## *** This file was created by Patric Zimmermann (UU, April 2016) with the RCN code for Quanty4RIXS *** ## *** Please report any bugs to P.Zimmermann@uu.nl *** ## ************************************************************************************************************************************************************ ## This file can be edited or altered to your own liking. Even extending/ adding other transitions is possible to a certain extend. ## Only lines beginning with Z= will be recognised and loaded when Quanty4RIXS starts. ## The labels SOC_3d, F0_1s3d or F0_3d3d, or more general SOC_v, F0_cv and F0_vv are used to identify the labels and assign them in the gui. ## Needed but missing values that are not defined or given are set to zero (0.000 eV). Used values can be verified in the logfile. ############################################################################################################################################################### Z=21 1s02 3d00 Sc3+ SOC_1s=0.000eV Z=21 1s02 3d01 Sc2+ SOC_1s=0.000eV SOC_3d=0.011eV F0_1s3d=22.80055eV G2_1s3d=0.01727eV Z=21 1s01 3d00 Sc4+ SOC_1s=0.000eV Z=21 1s01 3d01 Sc3+ SOC_1s=0.000eV SOC_3d=0.020eV F0_1s3d=27.79206eV G2_1s3d=0.03282eV Z=21 1s01 3d02 Sc2+ SOC_1s=0.000eV SOC_3d=0.016eV F0_1s3d=25.45309eV G2_1s3d=0.02630eV F0_3d3d=17.99125eV F2_3d3d=8.35006eV F4_3d3d=5.19986eV Z=21 2s02 3d00 Sc3+ SOC_2s=0.000eV Z=21 2s02 3d01 Sc2+ SOC_2s=0.000eV SOC_3d=0.011eV F0_2s3d=22.55284eV G2_2s3d=1.88957eV Z=21 2s01 3d00 Sc4+ SOC_2s=0.000eV Z=21 2s01 3d01 Sc3+ SOC_2s=0.000eV SOC_3d=0.020eV F0_2s3d=27.56661eV G2_2s3d=3.22817eV Z=21 2s01 3d02 Sc2+ SOC_2s=0.000eV SOC_3d=0.017eV F0_2s3d=25.42875eV G2_2s3d=2.66000eV F0_3d3d=18.32367eV F2_3d3d=8.55743eV F4_3d3d=5.33935eV Z=21 3s02 3d00 Sc3+ SOC_3s=0.000eV Z=21 3s02 3d01 Sc2+ SOC_3s=0.000eV SOC_3d=0.011eV F0_3s3d=18.76139eV G2_3s3d=8.00013eV Z=21 3s01 3d00 Sc4+ SOC_3s=0.000eV Z=21 3s01 3d01 Sc3+ SOC_3s=0.000eV SOC_3d=0.015eV F0_3s3d=20.72882eV G2_3s3d=9.36473eV Z=21 3s01 3d02 Sc2+ SOC_3s=0.000eV SOC_3d=0.012eV F0_3s3d=19.34328eV G2_3s3d=8.38464eV F0_3d3d=16.84480eV F2_3d3d=7.87362eV F4_3d3d=4.91474eV Z=21 2p06 3d00 Sc3+ SOC_2p=2.880eV Z=21 2p06 3d01 Sc2+ SOC_2p=2.881eV SOC_3d=0.011eV F0_2p3d=22.60039eV G1_2p3d=2.15216eV F2_2p3d=3.38905eV G3_2p3d=1.21686eV Z=21 2p05 3d00 Sc4+ SOC_2p=3.033eV Z=21 2p05 3d01 Sc3+ SOC_2p=3.032eV SOC_3d=0.020eV F0_2p3d=27.63620eV G1_2p3d=3.58475eV F2_2p3d=5.09622eV G3_2p3d=2.03583eV Z=21 2p05 3d02 Sc2+ SOC_2p=3.032eV SOC_3d=0.017eV F0_2p3d=25.46602eV G1_2p3d=2.95275eV F2_2p3d=4.33362eV G3_2p3d=1.67477eV F0_3d3d=18.28220eV F2_3d3d=8.53130eV F4_3d3d=5.32172eV Z=21 3p06 3d00 Sc3+ SOC_3p=0.314eV Z=21 3p06 3d01 Sc2+ SOC_3p=0.297eV SOC_3d=0.011eV F0_3p3d=18.18211eV G1_3p3d=10.70619eV F2_3p3d=8.55069eV G3_3p3d=6.40620eV Z=21 3p05 3d00 Sc4+ SOC_3p=0.340eV Z=21 3p05 3d01 Sc3+ SOC_3p=0.320eV SOC_3d=0.014eV F0_3p3d=19.96564eV G1_3p3d=12.12771eV F2_3p3d=9.69584eV G3_3p3d=7.36889eV Z=21 3p05 3d02 Sc2+ SOC_3p=0.304eV SOC_3d=0.011eV F0_3p3d=18.53555eV G1_3p3d=10.96773eV F2_3p3d=8.76324eV G3_3p3d=6.58128eV F0_3d3d=16.55416eV F2_3d3d=7.71389eV F4_3d3d=4.81020eV Z=22 1s02 3d00 Ti4+ SOC_1s=0.000eV Z=22 1s02 3d01 Ti3+ SOC_1s=0.000eV SOC_3d=0.019eV F0_1s3d=27.53285eV G2_1s3d=0.02823eV Z=22 1s02 3d02 Ti2+ SOC_1s=0.000eV SOC_3d=0.016eV F0_1s3d=25.17298eV G2_1s3d=0.02252eV F0_3d3d=17.78050eV F2_3d3d=8.24489eV F4_3d3d=5.13289eV Z=22 1s01 3d00 Ti5+ SOC_1s=0.000eV Z=22 1s01 3d01 Ti4+ SOC_1s=0.000eV SOC_3d=0.032eV F0_1s3d=31.86176eV G2_1s3d=0.04633eV Z=22 1s01 3d02 Ti3+ SOC_1s=0.000eV SOC_3d=0.027eV F0_1s3d=29.88142eV G2_1s3d=0.03903eV F0_3d3d=21.50813eV F2_3d3d=10.21833eV F4_3d3d=6.41223eV Z=22 1s01 3d03 Ti2+ SOC_1s=0.000eV SOC_3d=0.023eV F0_1s3d=27.68105eV G2_1s3d=0.03234eV F0_3d3d=19.54572eV F2_3d3d=9.05839eV F4_3d3d=5.63817eV Z=22 2s02 3d00 Ti4+ SOC_2s=0.000eV Z=22 2s02 3d01 Ti3+ SOC_2s=0.000eV SOC_3d=0.019eV F0_2s3d=27.14788eV G2_2s3d=2.84642eV Z=22 2s02 3d02 Ti2+ SOC_2s=0.000eV SOC_3d=0.016eV F0_2s3d=24.86402eV G2_2s3d=2.30668eV F0_3d3d=17.78050eV F2_3d3d=8.24489eV F4_3d3d=5.13289eV Z=22 2s01 3d00 Ti5+ SOC_2s=0.000eV Z=22 2s01 3d01 Ti4+ SOC_2s=0.000eV SOC_3d=0.032eV F0_2s3d=31.34621eV G2_2s3d=4.19324eV Z=22 2s01 3d02 Ti3+ SOC_2s=0.000eV SOC_3d=0.027eV F0_2s3d=29.53258eV G2_2s3d=3.61558eV F0_3d3d=21.70379eV F2_3d3d=10.36117eV F4_3d3d=6.51200eV Z=22 2s01 3d03 Ti2+ SOC_2s=0.000eV SOC_3d=0.023eV F0_2s3d=27.50910eV G2_2s3d=3.06135eV F0_3d3d=19.81692eV F2_3d3d=9.23684eV F4_3d3d=5.75952eV Z=22 3s02 3d00 Ti4+ SOC_3s=0.000eV Z=22 3s02 3d01 Ti3+ SOC_3s=0.000eV SOC_3d=0.019eV F0_3s3d=21.92303eV G2_3s3d=9.85062eV Z=22 3s02 3d02 Ti2+ SOC_3s=0.000eV SOC_3d=0.016eV F0_3s3d=20.44008eV G2_3s3d=8.81140eV F0_3d3d=17.78050eV F2_3d3d=8.24489eV F4_3d3d=5.13289eV Z=22 3s01 3d00 Ti5+ SOC_3s=0.000eV Z=22 3s01 3d01 Ti4+ SOC_3s=0.000eV SOC_3d=0.024eV F0_3s3d=23.36296eV G2_3s3d=10.73526eV Z=22 3s01 3d02 Ti3+ SOC_3s=0.000eV SOC_3d=0.021eV F0_3s3d=22.20778eV G2_3s3d=10.00729eV F0_3d3d=20.21914eV F2_3d3d=9.65689eV F4_3d3d=6.07112eV Z=22 3s01 3d03 Ti2+ SOC_3s=0.000eV SOC_3d=0.017eV F0_3s3d=20.90947eV G2_3s3d=9.10841eV F0_3d3d=18.37826eV F2_3d3d=8.56888eV F4_3d3d=5.34411eV Z=22 2p06 3d00 Ti4+ SOC_2p=3.597eV Z=22 2p06 3d01 Ti3+ SOC_2p=3.597eV SOC_3d=0.019eV F0_2p3d=27.22648eV G1_2p3d=3.20582eV F2_2p3d=4.71240eV G3_2p3d=1.81668eV Z=22 2p06 3d02 Ti2+ SOC_2p=3.598eV SOC_3d=0.016eV F0_2p3d=24.92688eV G1_2p3d=2.60095eV F2_2p3d=3.95445eV G3_2p3d=1.47213eV F0_3d3d=17.78050eV F2_3d3d=8.24489eV F4_3d3d=5.13289eV Z=22 2p05 3d00 Ti5+ SOC_2p=3.778eV Z=22 2p05 3d01 Ti4+ SOC_2p=3.776eV SOC_3d=0.032eV F0_2p3d=31.47398eV G1_2p3d=4.62794eV F2_2p3d=6.30248eV G3_2p3d=2.63286eV Z=22 2p05 3d02 Ti3+ SOC_2p=3.776eV SOC_3d=0.027eV F0_2p3d=29.62959eV G1_2p3d=3.99109eV F2_2p3d=5.58077eV G3_2p3d=2.26760eV F0_3d3d=21.68040eV F2_3d3d=10.34319eV F4_3d3d=6.49929eV Z=22 2p05 3d03 Ti2+ SOC_2p=3.776eV SOC_3d=0.023eV F0_2p3d=27.57541eV G1_2p3d=3.37847eV F2_2p3d=4.85026eV G3_2p3d=1.91745eV F0_3d3d=19.78382eV F2_3d3d=9.21440eV F4_3d3d=5.74415eV Z=22 3p06 3d00 Ti4+ SOC_3p=0.429eV Z=22 3p06 3d01 Ti3+ SOC_3p=0.405eV SOC_3d=0.019eV F0_3p3d=21.31344eV G1_3p3d=12.89728eV F2_3p3d=10.31883eV G3_3p3d=7.83360eV Z=22 3p06 3d02 Ti2+ SOC_3p=0.386eV SOC_3d=0.016eV F0_3p3d=19.83867eV G1_3p3d=11.71820eV F2_3p3d=9.36240eV G3_3p3d=7.03088eV F0_3d3d=17.78050eV F2_3d3d=8.24489eV F4_3d3d=5.13289eV Z=22 3p05 3d00 Ti5+ SOC_3p=0.461eV Z=22 3p05 3d01 Ti4+ SOC_3p=0.434eV SOC_3d=0.024eV F0_3p3d=22.67004eV G1_3p3d=13.81900eV F2_3p3d=11.13970eV G3_3p3d=8.49598eV Z=22 3p05 3d02 Ti3+ SOC_3p=0.410eV SOC_3d=0.020eV F0_3p3d=21.45806eV G1_3p3d=12.97592eV F2_3p3d=10.39482eV G3_3p3d=7.89073eV F0_3d3d=20.02262eV F2_3d3d=9.54570eV F4_3d3d=5.99755eV Z=22 3p05 3d03 Ti2+ SOC_3p=0.393eV SOC_3d=0.017eV F0_3p3d=20.11974eV G1_3p3d=11.91450eV F2_3p3d=9.52760eV G3_3p3d=7.16442eV F0_3d3d=18.12857eV F2_3d3d=8.42979eV F4_3d3d=5.25278eV Z=23 1s02 3d00 V5+ SOC_1s=0.000eV Z=23 1s02 3d01 V4+ SOC_1s=0.000eV SOC_3d=0.031eV F0_1s3d=31.63344eV G2_1s3d=0.04038eV Z=23 1s02 3d02 V3+ SOC_1s=0.000eV SOC_3d=0.027eV F0_1s3d=29.64084eV G2_1s3d=0.03393eV F0_3d3d=21.32691eV F2_3d3d=10.12746eV F4_3d3d=6.35422eV Z=23 1s02 3d03 V2+ SOC_1s=0.000eV SOC_3d=0.022eV F0_1s3d=27.42488eV G2_1s3d=0.02803eV F0_3d3d=19.35250eV F2_3d3d=8.96175eV F4_3d3d=5.57660eV Z=23 1s01 3d00 V6+ SOC_1s=0.000eV Z=23 1s01 3d01 V5+ SOC_1s=0.000eV SOC_3d=0.048eV F0_1s3d=35.64009eV G2_1s3d=0.06105eV Z=23 1s01 3d02 V4+ SOC_1s=0.000eV SOC_3d=0.042eV F0_1s3d=33.84681eV G2_1s3d=0.05288eV F0_3d3d=24.63253eV F2_3d3d=11.87580eV F4_3d3d=7.48953eV Z=23 1s01 3d03 V3+ SOC_1s=0.000eV SOC_3d=0.036eV F0_1s3d=31.93276eV G2_1s3d=0.04543eV F0_3d3d=22.93420eV F2_3d3d=10.86254eV F4_3d3d=6.80923eV Z=23 1s01 3d04 V2+ SOC_1s=0.000eV SOC_3d=0.031eV F0_1s3d=29.83633eV G2_1s3d=0.03859eV F0_3d3d=21.04481eV F2_3d3d=9.73907eV F4_3d3d=6.05897eV Z=23 2s02 3d00 V5+ SOC_2s=0.000eV Z=23 2s02 3d01 V4+ SOC_2s=0.000eV SOC_3d=0.031eV F0_2s3d=31.10655eV G2_2s3d=3.79551eV Z=23 2s02 3d02 V3+ SOC_2s=0.000eV SOC_3d=0.027eV F0_2s3d=29.19513eV G2_2s3d=3.24165eV F0_3d3d=21.32691eV F2_3d3d=10.12746eV F4_3d3d=6.35422eV Z=23 2s02 3d03 V2+ SOC_2s=0.000eV SOC_3d=0.022eV F0_2s3d=27.05485eV G2_2s3d=2.71325eV F0_3d3d=19.35250eV F2_3d3d=8.96175eV F4_3d3d=5.57660eV Z=23 2s01 3d00 V6+ SOC_2s=0.000eV Z=23 2s01 3d01 V5+ SOC_2s=0.000eV SOC_3d=0.047eV F0_2s3d=34.87085eV G2_2s3d=5.15866eV Z=23 2s01 3d02 V4+ SOC_2s=0.000eV SOC_3d=0.041eV F0_2s3d=33.23309eV G2_2s3d=4.56588eV F0_3d3d=24.73943eV F2_3d3d=11.97655eV F4_3d3d=7.56333eV Z=23 2s01 3d03 V3+ SOC_2s=0.000eV SOC_3d=0.036eV F0_2s3d=31.47413eV G2_2s3d=3.99907eV F0_3d3d=23.09582eV F2_3d3d=10.98947eV F4_3d3d=6.89897eV Z=23 2s01 3d04 V2+ SOC_2s=0.000eV SOC_3d=0.031eV F0_2s3d=29.53675eV G2_2s3d=3.45593eV F0_3d3d=21.26916eV F2_3d3d=9.89544eV F4_3d3d=6.16645eV Z=23 3s02 3d00 V5+ SOC_3s=0.000eV Z=23 3s02 3d01 V4+ SOC_3s=0.000eV SOC_3d=0.031eV F0_3s3d=24.61997eV G2_3s3d=11.25511eV Z=23 3s02 3d02 V3+ SOC_3s=0.000eV SOC_3d=0.027eV F0_3s3d=23.41037eV G2_3s3d=10.49751eV F0_3d3d=21.32691eV F2_3d3d=10.12746eV F4_3d3d=6.35422eV Z=23 3s02 3d03 V2+ SOC_3s=0.000eV SOC_3d=0.022eV F0_3s3d=22.03056eV G2_3s3d=9.54957eV F0_3d3d=19.35250eV F2_3d3d=8.96175eV F4_3d3d=5.57660eV Z=23 3s01 3d00 V6+ SOC_3s=0.000eV Z=23 3s01 3d01 V5+ SOC_3s=0.000eV SOC_3d=0.037eV F0_3s3d=25.81228eV G2_3s3d=11.89844eV Z=23 3s01 3d02 V4+ SOC_3s=0.000eV SOC_3d=0.032eV F0_3s3d=24.77332eV G2_3s3d=11.32235eV F0_3d3d=23.26398eV F2_3d3d=11.26478eV F4_3d3d=7.11529eV Z=23 3s01 3d03 V3+ SOC_3s=0.000eV SOC_3d=0.028eV F0_3s3d=23.65886eV G2_3s3d=10.62955eV F0_3d3d=21.64333eV F2_3d3d=10.29910eV F4_3d3d=6.46647eV Z=23 3s01 3d04 V2+ SOC_3s=0.000eV SOC_3d=0.024eV F0_3s3d=22.42517eV G2_3s3d=9.79024eV F0_3d3d=19.86163eV F2_3d3d=9.23968eV F4_3d3d=5.75809eV Z=23 2p06 3d00 V5+ SOC_2p=4.443eV Z=23 2p06 3d01 V4+ SOC_2p=4.442eV SOC_3d=0.031eV F0_2p3d=31.21957eV G1_2p3d=4.23623eV F2_2p3d=5.93324eV G3_2p3d=2.40513eV Z=23 2p06 3d02 V3+ SOC_2p=4.441eV SOC_3d=0.027eV F0_2p3d=29.29033eV G1_2p3d=3.62222eV F2_2p3d=5.21562eV G3_2p3d=2.05396eV F0_3d3d=21.32691eV F2_3d3d=10.12746eV F4_3d3d=6.35422eV Z=23 2p06 3d03 V2+ SOC_2p=4.442eV SOC_3d=0.022eV F0_2p3d=27.13368eV G1_2p3d=3.03437eV F2_2p3d=4.49106eV G3_2p3d=1.71886eV F0_3d3d=19.35250eV F2_3d3d=8.96175eV F4_3d3d=5.57660eV Z=23 2p05 3d00 V6+ SOC_2p=4.656eV Z=23 2p05 3d01 V5+ SOC_2p=4.652eV SOC_3d=0.047eV F0_2p3d=35.05498eV G1_2p3d=5.66281eV F2_2p3d=7.46136eV G3_2p3d=3.22646eV Z=23 2p05 3d02 V4+ SOC_2p=4.650eV SOC_3d=0.042eV F0_2p3d=33.38633eV G1_2p3d=5.01406eV F2_2p3d=6.75857eV G3_2p3d=2.85311eV F0_3d3d=24.72955eV F2_3d3d=11.96470eV F4_3d3d=7.55434eV Z=23 2p05 3d03 V3+ SOC_2p=4.649eV SOC_3d=0.036eV F0_2p3d=31.59760eV G1_2p3d=4.39226eV F2_2p3d=6.05722eV G3_2p3d=2.49644eV F0_3d3d=23.07838eV F2_3d3d=10.97406eV F4_3d3d=6.88784eV Z=23 2p05 3d04 V2+ SOC_2p=4.650eV SOC_3d=0.031eV F0_2p3d=29.63116eV G1_2p3d=3.79520eV F2_2p3d=5.35186eV G3_2p3d=2.15505eV F0_3d3d=21.24351eV F2_3d3d=9.87628eV F4_3d3d=6.15309eV Z=23 3p06 3d00 V5+ SOC_3p=0.570eV Z=23 3p06 3d01 V4+ SOC_3p=0.539eV SOC_3d=0.031eV F0_3p3d=24.03326eV G1_3p3d=14.58736eV F2_3p3d=11.76997eV G3_3p3d=8.96251eV Z=23 3p06 3d02 V3+ SOC_3p=0.512eV SOC_3d=0.027eV F0_3p3d=22.79559eV G1_3p3d=13.73336eV F2_3p3d=11.01029eV G3_3p3d=8.34818eV F0_3d3d=21.32691eV F2_3d3d=10.12746eV F4_3d3d=6.35422eV Z=23 3p06 3d03 V2+ SOC_3p=0.492eV SOC_3d=0.022eV F0_3p3d=21.41501eV G1_3p3d=12.65109eV F2_3p3d=10.11957eV G3_3p3d=7.60621eV F0_3d3d=19.35250eV F2_3d3d=8.96175eV F4_3d3d=5.57660eV Z=23 3p05 3d00 V6+ SOC_3p=0.608eV Z=23 3p05 3d01 V5+ SOC_3p=0.574eV SOC_3d=0.036eV F0_3p3d=25.19402eV G1_3p3d=15.27513eV F2_3p3d=12.44085eV G3_3p3d=9.48160eV Z=23 3p05 3d02 V4+ SOC_3p=0.544eV SOC_3d=0.032eV F0_3p3d=24.09042eV G1_3p3d=14.60516eV F2_3p3d=11.79411eV G3_3p3d=8.97739eV F0_3d3d=23.12425eV F2_3d3d=11.18388eV F4_3d3d=7.06129eV Z=23 3p05 3d03 V3+ SOC_3p=0.519eV SOC_3d=0.027eV F0_3p3d=22.92142eV G1_3p3d=13.79851eV F2_3p3d=11.07540eV G3_3p3d=8.39623eV F0_3d3d=21.46750eV F2_3d3d=10.19852eV F4_3d3d=6.39974eV Z=23 3p05 3d04 V2+ SOC_3p=0.500eV SOC_3d=0.023eV F0_3p3d=21.64972eV G1_3p3d=12.80722eV F2_3p3d=10.25505eV G3_3p3d=7.71392eV F0_3d3d=19.64238eV F2_3d3d=9.11604eV F4_3d3d=5.67669eV Z=24 1s02 3d00 Cr6+ SOC_1s=0.000eV Z=24 1s02 3d01 Cr5+ SOC_1s=0.000eV SOC_3d=0.046eV F0_1s3d=35.43222eV G2_1s3d=0.05375eV Z=24 1s02 3d02 Cr4+ SOC_1s=0.000eV SOC_3d=0.041eV F0_1s3d=33.63217eV G2_1s3d=0.04649eV F0_3d3d=24.47076eV F2_3d3d=11.79458eV F4_3d3d=7.43764eV Z=24 1s02 3d03 Cr3+ SOC_1s=0.000eV SOC_3d=0.035eV F0_1s3d=31.70790eV G2_1s3d=0.03986eV F0_3d3d=22.76442eV F2_3d3d=10.77726eV F4_3d3d=6.75476eV Z=24 1s02 3d04 Cr2+ SOC_1s=0.000eV SOC_3d=0.030eV F0_1s3d=29.59966eV G2_1s3d=0.03379eV F0_3d3d=20.86585eV F2_3d3d=9.64939eV F4_3d3d=6.00180eV Z=24 1s02 3d05 Cr1+ SOC_1s=0.000eV SOC_3d=0.025eV F0_1s3d=27.21300eV G2_1s3d=0.02820eV F0_3d3d=18.66814eV F2_3d3d=8.35658eV F4_3d3d=5.14650eV Z=24 1s01 3d00 Cr7+ SOC_1s=0.000eV Z=24 1s01 3d01 Cr6+ SOC_1s=0.000eV SOC_3d=0.067eV F0_1s3d=39.24743eV G2_1s3d=0.07692eV Z=24 1s01 3d02 Cr5+ SOC_1s=0.000eV SOC_3d=0.060eV F0_1s3d=37.56943eV G2_1s3d=0.06785eV F0_3d3d=27.55150eV F2_3d3d=13.42185eV F4_3d3d=8.49508eV Z=24 1s01 3d03 Cr4+ SOC_1s=0.000eV SOC_3d=0.054eV F0_1s3d=35.81614eV G2_1s3d=0.05958eV F0_3d3d=26.00237eV F2_3d3d=12.49301eV F4_3d3d=7.86910eV Z=24 1s01 3d04 Cr3+ SOC_1s=0.000eV SOC_3d=0.047eV F0_1s3d=33.95557eV G2_1s3d=0.05199eV F0_3d3d=24.33796eV F2_3d3d=11.49561eV F4_3d3d=7.19924eV Z=24 1s01 3d05 Cr2+ SOC_1s=0.000eV SOC_3d=0.041eV F0_1s3d=31.93934eV G2_1s3d=0.04501eV F0_3d3d=22.50396eV F2_3d3d=10.39985eV F4_3d3d=6.46716eV Z=24 1s01 3d06 Cr1+ SOC_1s=0.000eV SOC_3d=0.035eV F0_1s3d=29.69278eV G2_1s3d=0.03858eV F0_3d3d=20.41044eV F2_3d3d=9.15953eV F4_3d3d=5.64556eV Z=24 2s02 3d00 Cr6+ SOC_2s=0.000eV Z=24 2s02 3d01 Cr5+ SOC_2s=0.000eV SOC_3d=0.046eV F0_2s3d=34.75800eV G2_2s3d=4.74911eV Z=24 2s02 3d02 Cr4+ SOC_2s=0.000eV SOC_3d=0.041eV F0_2s3d=33.04483eV G2_2s3d=4.17642eV F0_3d3d=24.47076eV F2_3d3d=11.79458eV F4_3d3d=7.43764eV Z=24 2s02 3d03 Cr3+ SOC_2s=0.000eV SOC_3d=0.035eV F0_2s3d=31.20142eV G2_2s3d=3.63149eV F0_3d3d=22.76442eV F2_3d3d=10.77726eV F4_3d3d=6.75476eV Z=24 2s02 3d04 Cr2+ SOC_2s=0.000eV SOC_3d=0.030eV F0_2s3d=29.16859eV G2_2s3d=3.11256eV F0_3d3d=20.86585eV F2_3d3d=9.64939eV F4_3d3d=6.00180eV Z=24 2s02 3d05 Cr1+ SOC_2s=0.000eV SOC_3d=0.025eV F0_2s3d=26.85221eV G2_2s3d=2.61916eV F0_3d3d=18.66814eV F2_3d3d=8.35658eV F4_3d3d=5.14650eV Z=24 2s01 3d00 Cr7+ SOC_2s=0.000eV Z=24 2s01 3d01 Cr6+ SOC_2s=0.000eV SOC_3d=0.066eV F0_2s3d=38.24233eV G2_2s3d=6.12687eV Z=24 2s01 3d02 Cr5+ SOC_2s=0.000eV SOC_3d=0.059eV F0_2s3d=36.71484eV G2_2s3d=5.51810eV F0_3d3d=27.59118eV F2_3d3d=13.49073eV F4_3d3d=8.54922eV Z=24 2s01 3d03 Cr4+ SOC_2s=0.000eV SOC_3d=0.053eV F0_2s3d=35.10814eV G2_2s3d=4.93530eV F0_3d3d=26.08589eV F2_3d3d=12.58296eV F4_3d3d=7.93609eV Z=24 2s01 3d04 Cr3+ SOC_2s=0.000eV SOC_3d=0.047eV F0_2s3d=33.39368eV G2_2s3d=4.37795eV F0_3d3d=24.47004eV F2_3d3d=11.60873eV F4_3d3d=7.28028eV Z=24 2s01 3d05 Cr2+ SOC_2s=0.000eV SOC_3d=0.041eV F0_2s3d=31.52481eV G2_2s3d=3.84452eV F0_3d3d=22.69044eV F2_3d3d=10.53839eV F4_3d3d=6.56345eV Z=24 2s01 3d06 Cr1+ SOC_2s=0.000eV SOC_3d=0.035eV F0_2s3d=29.42470eV G2_2s3d=3.33386eV F0_3d3d=20.65489eV F2_3d3d=9.32346eV F4_3d3d=5.75653eV Z=24 3s02 3d00 Cr6+ SOC_3s=0.000eV Z=24 3s02 3d01 Cr5+ SOC_3s=0.000eV SOC_3d=0.046eV F0_3s3d=27.10653eV G2_3s3d=12.43426eV Z=24 3s02 3d02 Cr4+ SOC_3s=0.000eV SOC_3d=0.041eV F0_3s3d=26.03230eV G2_3s3d=11.84060eV F0_3d3d=24.47076eV F2_3d3d=11.79458eV F4_3d3d=7.43764eV Z=24 3s02 3d03 Cr3+ SOC_3s=0.000eV SOC_3d=0.035eV F0_3s3d=24.86914eV G2_3s3d=11.12138eV F0_3d3d=22.76442eV F2_3d3d=10.77726eV F4_3d3d=6.75476eV Z=24 3s02 3d04 Cr2+ SOC_3s=0.000eV SOC_3d=0.030eV F0_3s3d=23.56541eV G2_3s3d=10.24087eV F0_3d3d=20.86585eV F2_3d3d=9.64939eV F4_3d3d=6.00180eV Z=24 3s02 3d05 Cr1+ SOC_3s=0.000eV SOC_3d=0.025eV F0_3s3d=22.02916eV G2_3s3d=9.15744eV F0_3d3d=18.66814eV F2_3d3d=8.35658eV F4_3d3d=5.14650eV Z=24 3s01 3d00 Cr7+ SOC_3s=0.000eV Z=24 3s01 3d01 Cr6+ SOC_3s=0.000eV SOC_3d=0.053eV F0_3s3d=28.15543eV G2_3s3d=12.93301eV Z=24 3s01 3d02 Cr5+ SOC_3s=0.000eV SOC_3d=0.047eV F0_3s3d=27.18591eV G2_3s3d=12.45969eV F0_3d3d=26.13118eV F2_3d3d=12.77760eV F4_3d3d=8.09842eV Z=24 3s01 3d03 Cr4+ SOC_3s=0.000eV SOC_3d=0.042eV F0_3s3d=26.17112eV G2_3s3d=11.89978eV F0_3d3d=24.63765eV F2_3d3d=11.88365eV F4_3d3d=7.49570eV Z=24 3s01 3d04 Cr3+ SOC_3s=0.000eV SOC_3d=0.037eV F0_3s3d=25.08990eV G2_3s3d=11.23508eV F0_3d3d=23.04567eV F2_3d3d=10.93060eV F4_3d3d=6.85515eV Z=24 3s01 3d05 Cr2+ SOC_3s=0.000eV SOC_3d=0.032eV F0_3s3d=23.90633eV G2_3s3d=10.44208eV F0_3d3d=21.30965eV F2_3d3d=9.89319eV F4_3d3d=6.16122eV Z=24 3s01 3d06 Cr1+ SOC_3s=0.000eV SOC_3d=0.027eV F0_3s3d=22.55779eV G2_3s3d=9.49498eV F0_3d3d=19.35338eV F2_3d3d=8.73175eV F4_3d3d=5.39042eV Z=24 2p06 3d00 Cr6+ SOC_2p=5.432eV Z=24 2p06 3d01 Cr5+ SOC_2p=5.428eV SOC_3d=0.046eV F0_2p3d=34.90855eV G1_2p3d=5.26165eV F2_2p3d=7.10364eV G3_2p3d=2.99217eV Z=24 2p06 3d02 Cr4+ SOC_2p=5.427eV SOC_3d=0.041eV F0_2p3d=33.17539eV G1_2p3d=4.63217eV F2_2p3d=6.40377eV G3_2p3d=2.63089eV F0_3d3d=24.47076eV F2_3d3d=11.79458eV F4_3d3d=7.43764eV Z=24 2p06 3d03 Cr3+ SOC_2p=5.426eV SOC_3d=0.035eV F0_2p3d=31.31364eV G1_2p3d=4.03132eV F2_2p3d=5.70690eV G3_2p3d=2.28713eV F0_3d3d=22.76442eV F2_3d3d=10.77726eV F4_3d3d=6.75476eV Z=24 2p06 3d04 Cr2+ SOC_2p=5.427eV SOC_3d=0.030eV F0_2p3d=29.26391eV G1_2p3d=3.45747eV F2_2p3d=5.00851eV G3_2p3d=1.95982eV F0_3d3d=20.86585eV F2_3d3d=9.64939eV F4_3d3d=6.00180eV Z=24 2p06 3d05 Cr1+ SOC_2p=5.429eV SOC_3d=0.025eV F0_2p3d=26.93192eV G1_2p3d=2.91046eV F2_2p3d=4.30501eV G3_2p3d=1.64870eV F0_3d3d=18.66814eV F2_3d3d=8.35658eV F4_3d3d=5.14650eV Z=24 2p05 3d00 Cr7+ SOC_2p=5.680eV Z=24 2p05 3d01 Cr6+ SOC_2p=5.674eV SOC_3d=0.066eV F0_2p3d=38.48213eV G1_2p3d=6.69419eV F2_2p3d=8.59079eV G3_2p3d=3.81915eV Z=24 2p05 3d02 Cr5+ SOC_2p=5.670eV SOC_3d=0.060eV F0_2p3d=36.92298eV G1_2p3d=6.03197eV F2_2p3d=7.89766eV G3_2p3d=3.43693eV F0_3d3d=27.59202eV F2_3d3d=13.48376eV F4_3d3d=8.54319eV Z=24 2p05 3d03 Cr4+ SOC_2p=5.668eV SOC_3d=0.053eV F0_2p3d=35.28613eV G1_2p3d=5.39663eV F2_2p3d=7.21009eV G3_2p3d=3.07135eV F0_3d3d=26.08039eV F2_3d3d=12.57297eV F4_3d3d=7.92824eV Z=24 2p05 3d04 Cr3+ SOC_2p=5.667eV SOC_3d=0.047eV F0_2p3d=33.54252eV G1_2p3d=4.78770eV F2_2p3d=6.52582eV G3_2p3d=2.72203eV F0_3d3d=24.45765eV F2_3d3d=11.59551eV F4_3d3d=7.27049eV Z=24 2p05 3d05 Cr2+ SOC_2p=5.668eV SOC_3d=0.041eV F0_2p3d=31.64541eV G1_2p3d=4.20388eV F2_2p3d=5.84112eV G3_2p3d=2.38811eV F0_3d3d=22.67067eV F2_3d3d=10.52180eV F4_3d3d=6.55166eV Z=24 2p05 3d06 Cr1+ SOC_2p=5.669eV SOC_3d=0.035eV F0_2p3d=29.51803eV G1_2p3d=3.64431eV F2_2p3d=5.15182eV G3_2p3d=2.06898eV F0_3d3d=20.62746eV F2_3d3d=9.30359eV F4_3d3d=5.74288eV Z=24 3p06 3d00 Cr6+ SOC_3p=0.743eV Z=24 3p06 3d01 Cr5+ SOC_3p=0.703eV SOC_3d=0.046eV F0_3p3d=26.56676eV G1_3p3d=16.04354eV F2_3p3d=13.07606eV G3_3p3d=9.94988eV Z=24 3p06 3d02 Cr4+ SOC_3p=0.669eV SOC_3d=0.041eV F0_3p3d=25.44561eV G1_3p3d=15.36608eV F2_3p3d=12.41899eV G3_3p3d=9.43924eV F0_3d3d=24.47076eV F2_3d3d=11.79458eV F4_3d3d=7.43764eV Z=24 3p06 3d03 Cr3+ SOC_3p=0.639eV SOC_3d=0.035eV F0_3p3d=24.25097eV G1_3p3d=14.54824eV F2_3p3d=11.68595eV G3_3p3d=8.84899eV F0_3d3d=22.76442eV F2_3d3d=10.77726eV F4_3d3d=6.75476eV Z=24 3p06 3d04 Cr2+ SOC_3p=0.616eV SOC_3d=0.030eV F0_3p3d=22.93974eV G1_3p3d=13.53681eV F2_3p3d=10.84369eV G3_3p3d=8.15177eV F0_3d3d=20.86585eV F2_3d3d=9.64939eV F4_3d3d=6.00180eV Z=24 3p06 3d05 Cr1+ SOC_3p=0.602eV SOC_3d=0.025eV F0_3p3d=21.43186eV G1_3p3d=12.25528eV F2_3p3d=9.84029eV G3_3p3d=7.31069eV F0_3d3d=18.66814eV F2_3d3d=8.35658eV F4_3d3d=5.14650eV Z=24 3p05 3d00 Cr7+ SOC_3p=0.789eV Z=24 3p05 3d01 Cr6+ SOC_3p=0.746eV SOC_3d=0.053eV F0_3p3d=27.61547eV G1_3p3d=16.59530eV F2_3p3d=13.66029eV G3_3p3d=10.38444eV Z=24 3p05 3d02 Cr5+ SOC_3p=0.708eV SOC_3d=0.047eV F0_3p3d=26.57576eV G1_3p3d=16.03609eV F2_3p3d=13.07440eV G3_3p3d=9.94562eV F0_3d3d=26.02932eV F2_3d3d=12.71725eV F4_3d3d=8.05782eV Z=24 3p05 3d03 Cr4+ SOC_3p=0.674eV SOC_3d=0.041eV F0_3p3d=25.49735eV G1_3p3d=15.38082eV F2_3p3d=12.44036eV G3_3p3d=9.45201eV F0_3d3d=24.50957eV F2_3d3d=11.80873eV F4_3d3d=7.44559eV Z=24 3p05 3d04 Cr3+ SOC_3p=0.646eV SOC_3d=0.036eV F0_3p3d=24.36275eV G1_3p3d=14.60316eV F2_3p3d=11.74277eV G3_3p3d=8.89017eV F0_3d3d=22.88637eV F2_3d3d=10.83854eV F4_3d3d=6.79395eV Z=24 3p05 3d05 Cr2+ SOC_3p=0.625eV SOC_3d=0.031eV F0_3p3d=23.14195eV G1_3p3d=13.66511eV F2_3p3d=10.95831eV G3_3p3d=8.24150eV F0_3d3d=21.11385eV F2_3d3d=9.78156eV F4_3d3d=6.08756eV Z=24 3p05 3d06 Cr1+ SOC_3p=0.612eV SOC_3d=0.027eV F0_3p3d=21.78178eV G1_3p3d=12.51747eV F2_3p3d=10.05359eV G3_3p3d=7.48398eV F0_3d3d=19.11873eV F2_3d3d=8.60059eV F4_3d3d=5.30471eV Z=25 1s02 3d00 Mn7+ SOC_1s=0.000eV Z=25 1s02 3d01 Mn6+ SOC_1s=0.000eV SOC_3d=0.066eV F0_1s3d=39.05455eV G2_1s3d=0.06828eV Z=25 1s02 3d02 Mn5+ SOC_1s=0.000eV SOC_3d=0.059eV F0_1s3d=37.37252eV G2_1s3d=0.06018eV F0_3d3d=27.40297eV F2_3d3d=13.34723eV F4_3d3d=8.44739eV Z=25 1s02 3d03 Mn4+ SOC_1s=0.000eV SOC_3d=0.052eV F0_1s3d=35.61231eV G2_1s3d=0.05277eV F0_3d3d=25.84843eV F2_3d3d=12.41560eV F4_3d3d=7.81962eV Z=25 1s02 3d04 Mn3+ SOC_1s=0.000eV SOC_3d=0.046eV F0_1s3d=33.74339eV G2_1s3d=0.04598eV F0_3d3d=24.17743eV F2_3d3d=11.41486eV F4_3d3d=7.14764eV Z=25 1s02 3d05 Mn2+ SOC_1s=0.000eV SOC_3d=0.040eV F0_1s3d=31.71820eV G2_1s3d=0.03975eV F0_3d3d=22.33636eV F2_3d3d=10.31571eV F4_3d3d=6.41351eV Z=25 1s01 3d00 Mn8+ SOC_1s=0.000eV Z=25 1s01 3d01 Mn7+ SOC_1s=0.000eV SOC_3d=0.092eV F0_1s3d=42.74048eV G2_1s3d=0.09381eV Z=25 1s01 3d02 Mn6+ SOC_1s=0.000eV SOC_3d=0.084eV F0_1s3d=41.14306eV G2_1s3d=0.08389eV F0_3d3d=30.34505eV F2_3d3d=14.89973eV F4_3d3d=9.45666eV Z=25 1s01 3d03 Mn5+ SOC_1s=0.000eV SOC_3d=0.075eV F0_1s3d=39.49267eV G2_1s3d=0.07477eV F0_3d3d=28.89160eV F2_3d3d=14.02555eV F4_3d3d=8.86596eV Z=25 1s01 3d04 Mn4+ SOC_1s=0.000eV SOC_3d=0.067eV F0_1s3d=37.77180eV G2_1s3d=0.06639eV F0_3d3d=27.36076eV F2_3d3d=13.10435eV F4_3d3d=8.24503eV Z=25 1s01 3d05 Mn3+ SOC_1s=0.000eV SOC_3d=0.060eV F0_1s3d=35.95516eV G2_1s3d=0.05869eV F0_3d3d=25.72348eV F2_3d3d=12.11959eV F4_3d3d=7.58354eV Z=25 1s01 3d06 Mn2+ SOC_1s=0.000eV SOC_3d=0.053eV F0_1s3d=34.00337eV G2_1s3d=0.05158eV F0_3d3d=23.93321eV F2_3d3d=11.04571eV F4_3d3d=6.86593eV Z=25 2s02 3d00 Mn7+ SOC_2s=0.000eV Z=25 2s02 3d01 Mn6+ SOC_2s=0.000eV SOC_3d=0.066eV F0_2s3d=38.22807eV G2_2s3d=5.70883eV Z=25 2s02 3d02 Mn5+ SOC_2s=0.000eV SOC_3d=0.059eV F0_2s3d=36.63849eV G2_2s3d=5.11743eV F0_3d3d=27.40297eV F2_3d3d=13.34723eV F4_3d3d=8.44739eV Z=25 2s02 3d03 Mn4+ SOC_2s=0.000eV SOC_3d=0.052eV F0_2s3d=34.96459eV G2_2s3d=4.55353eV F0_3d3d=25.84843eV F2_3d3d=12.41560eV F4_3d3d=7.81962eV Z=25 2s02 3d04 Mn3+ SOC_2s=0.000eV SOC_3d=0.046eV F0_2s3d=33.17622eV G2_2s3d=4.01654eV F0_3d3d=24.17743eV F2_3d3d=11.41486eV F4_3d3d=7.14764eV Z=25 2s02 3d05 Mn2+ SOC_2s=0.000eV SOC_3d=0.040eV F0_2s3d=31.22619eV G2_2s3d=3.50550eV F0_3d3d=22.33636eV F2_3d3d=10.31571eV F4_3d3d=6.41351eV Z=25 2s01 3d00 Mn8+ SOC_2s=0.000eV Z=25 2s01 3d01 Mn7+ SOC_2s=0.000eV SOC_3d=0.089eV F0_2s3d=41.51203eV G2_2s3d=7.09750eV Z=25 2s01 3d02 Mn6+ SOC_2s=0.000eV SOC_3d=0.082eV F0_2s3d=40.06134eV G2_2s3d=6.47421eV F0_3d3d=30.33091eV F2_3d3d=14.94310eV F4_3d3d=9.49506eV Z=25 2s01 3d03 Mn5+ SOC_2s=0.000eV SOC_3d=0.074eV F0_2s3d=38.55413eV G2_2s3d=5.87562eV F0_3d3d=28.91462eV F2_3d3d=14.08682eV F4_3d3d=8.91530eV Z=25 2s01 3d04 Mn4+ SOC_2s=0.000eV SOC_3d=0.066eV F0_2s3d=36.97436eV G2_2s3d=5.30214eV F0_3d3d=27.42424eV F2_3d3d=13.18504eV F4_3d3d=8.30618eV Z=25 2s01 3d05 Mn3+ SOC_2s=0.000eV SOC_3d=0.059eV F0_2s3d=35.29721eV G2_2s3d=4.75333eV F0_3d3d=25.83104eV F2_3d3d=12.22124eV F4_3d3d=7.65737eV Z=25 2s01 3d06 Mn2+ SOC_2s=0.000eV SOC_3d=0.052eV F0_2s3d=33.48378eV G2_2s3d=4.22833eV F0_3d3d=24.08878eV F2_3d3d=11.16971eV F4_3d3d=6.95308eV Z=25 3s02 3d00 Mn7+ SOC_3s=0.000eV Z=25 3s02 3d01 Mn6+ SOC_3s=0.000eV SOC_3d=0.066eV F0_3s3d=29.47524eV G2_3s3d=13.48003eV Z=25 3s02 3d02 Mn5+ SOC_3s=0.000eV SOC_3d=0.059eV F0_3s3d=28.48018eV G2_3s3d=12.99435eV F0_3d3d=27.40297eV F2_3d3d=13.34723eV F4_3d3d=8.44739eV Z=25 3s02 3d03 Mn4+ SOC_3s=0.000eV SOC_3d=0.052eV F0_3s3d=27.43210eV G2_3s3d=12.41764eV F0_3d3d=25.84843eV F2_3d3d=12.41560eV F4_3d3d=7.81962eV Z=25 3s02 3d04 Mn3+ SOC_3s=0.000eV SOC_3d=0.046eV F0_3s3d=26.30621eV G2_3s3d=11.72870eV F0_3d3d=24.17743eV F2_3d3d=11.41486eV F4_3d3d=7.14764eV Z=25 3s02 3d05 Mn2+ SOC_3s=0.000eV SOC_3d=0.040eV F0_3s3d=25.06054eV G2_3s3d=10.89957eV F0_3d3d=22.33636eV F2_3d3d=10.31571eV F4_3d3d=6.41351eV Z=25 3s01 3d00 Mn8+ SOC_3s=0.000eV Z=25 3s01 3d01 Mn7+ SOC_3s=0.000eV SOC_3d=0.074eV F0_3s3d=30.43089eV G2_3s3d=13.88293eV Z=25 3s01 3d02 Mn6+ SOC_3s=0.000eV SOC_3d=0.067eV F0_3s3d=29.50711eV G2_3s3d=13.48431eV F0_3d3d=28.88808eV F2_3d3d=14.23143eV F4_3d3d=9.04365eV Z=25 3s01 3d03 Mn5+ SOC_3s=0.000eV SOC_3d=0.060eV F0_3s3d=28.55372eV G2_3s3d=13.01738eV F0_3d3d=27.47702eV F2_3d3d=13.38437eV F4_3d3d=8.47116eV Z=25 3s01 3d04 Mn4+ SOC_3s=0.000eV SOC_3d=0.053eV F0_3s3d=27.55929eV G2_3s3d=12.47059eV F0_3d3d=25.99968eV F2_3d3d=12.49662eV F4_3d3d=7.87248eV Z=25 3s01 3d05 Mn3+ SOC_3s=0.000eV SOC_3d=0.047eV F0_3s3d=26.50543eV G2_3s3d=11.82858eV F0_3d3d=24.43085eV F2_3d3d=11.55368eV F4_3d3d=7.23861eV Z=25 3s01 3d06 Mn2+ SOC_3s=0.000eV SOC_3d=0.042eV F0_3s3d=25.36166eV G2_3s3d=11.07222eV F0_3d3d=22.73065eV F2_3d3d=10.53349eV F4_3d3d=6.55608eV Z=25 2p06 3d00 Mn7+ SOC_2p=6.580eV Z=25 2p06 3d01 Mn6+ SOC_2p=6.574eV SOC_3d=0.066eV F0_2p3d=38.41885eV G1_2p3d=6.28662eV F2_2p3d=8.24347eV G3_2p3d=3.58013eV Z=25 2p06 3d02 Mn5+ SOC_2p=6.570eV SOC_3d=0.059eV F0_2p3d=36.80716eV G1_2p3d=5.64098eV F2_2p3d=7.55232eV G3_2p3d=3.20846eV F0_3d3d=27.40297eV F2_3d3d=13.34723eV F4_3d3d=8.44739eV Z=25 2p06 3d03 Mn4+ SOC_2p=6.568eV SOC_3d=0.052eV F0_2p3d=35.11290eV G1_2p3d=5.02366eV F2_2p3d=6.86803eV G3_2p3d=2.85415eV F0_3d3d=25.84843eV F2_3d3d=12.41560eV F4_3d3d=7.81962eV Z=25 2p06 3d04 Mn3+ SOC_2p=6.568eV SOC_3d=0.046eV F0_2p3d=33.30576eV G1_2p3d=4.43425eV F2_2p3d=6.18861eV G3_2p3d=2.51684eV F0_3d3d=24.17743eV F2_3d3d=11.41486eV F4_3d3d=7.14764eV Z=25 2p06 3d05 Mn2+ SOC_2p=6.569eV SOC_3d=0.040eV F0_2p3d=31.33838eV G1_2p3d=3.87195eV F2_2p3d=5.51116eV G3_2p3d=2.19596eV F0_3d3d=22.33636eV F2_3d3d=10.31571eV F4_3d3d=6.41351eV Z=25 2p05 3d00 Mn8+ SOC_2p=6.868eV Z=25 2p05 3d01 Mn7+ SOC_2p=6.858eV SOC_3d=0.090eV F0_2p3d=41.80785eV G1_2p3d=7.72394eV F2_2p3d=9.70007eV G3_2p3d=4.41179eV Z=25 2p05 3d02 Mn6+ SOC_2p=6.852eV SOC_3d=0.082eV F0_2p3d=40.32419eV G1_2p3d=7.04903eV F2_2p3d=9.01256eV G3_2p3d=4.02124eV F0_3d3d=30.34074eV F2_3d3d=14.94024eV F4_3d3d=9.49153eV Z=25 2p05 3d03 Mn5+ SOC_2p=6.847eV SOC_3d=0.074eV F0_2p3d=38.78578eV G1_2p3d=6.39971eV F2_2p3d=8.33211eV G3_2p3d=3.64658eV F0_3d3d=28.91878eV F2_3d3d=14.08123eV F4_3d3d=8.91011eV Z=25 2p05 3d04 Mn4+ SOC_2p=6.845eV SOC_3d=0.066eV F0_2p3d=37.17615eV G1_2p3d=5.77639eV F2_2p3d=7.65797eV G3_2p3d=3.28797eV F0_3d3d=27.42238eV F2_3d3d=13.17660eV F4_3d3d=8.29926eV Z=25 2p05 3d05 Mn3+ SOC_2p=6.845eV SOC_3d=0.059eV F0_2p3d=35.47034eV G1_2p3d=5.17885eV F2_2p3d=6.98849eV G3_2p3d=2.94518eV F0_3d3d=25.82284eV F2_3d3d=12.20982eV F4_3d3d=7.64868eV Z=25 2p05 3d06 Mn2+ SOC_2p=6.846eV SOC_3d=0.053eV F0_2p3d=33.62934eV G1_2p3d=4.60644eV F2_2p3d=6.32111eV G3_2p3d=2.61771eV F0_3d3d=24.07389eV F2_3d3d=11.15524eV F4_3d3d=6.94259eV Z=25 3p06 3d00 Mn7+ SOC_3p=0.950eV Z=25 3p06 3d01 Mn6+ SOC_3p=0.902eV SOC_3d=0.066eV F0_3p3d=28.99551eV G1_3p3d=17.36689eV F2_3p3d=14.30060eV G3_3p3d=10.85583eV Z=25 3p06 3d02 Mn5+ SOC_3p=0.858eV SOC_3d=0.059eV F0_3p3d=27.94269eV G1_3p3d=16.80062eV F2_3p3d=13.70622eV G3_3p3d=10.41123eV F0_3d3d=27.40297eV F2_3d3d=13.34723eV F4_3d3d=8.44739eV Z=25 3p06 3d03 Mn4+ SOC_3p=0.820eV SOC_3d=0.052eV F0_3p3d=26.84632eV G1_3p3d=16.13682eV F2_3p3d=13.06152eV G3_3p3d=9.91067eV F0_3d3d=25.84843eV F2_3d3d=12.41560eV F4_3d3d=7.81962eV Z=25 3p06 3d04 Mn3+ SOC_3p=0.787eV SOC_3d=0.046eV F0_3p3d=25.68640eV G1_3p3d=15.34695eV F2_3p3d=12.34954eV G3_3p3d=9.33932eV F0_3d3d=24.17743eV F2_3d3d=11.41486eV F4_3d3d=7.14764eV Z=25 3p06 3d05 Mn2+ SOC_3p=0.762eV SOC_3d=0.040eV F0_3p3d=24.42827eV G1_3p3d=14.38845eV F2_3p3d=11.54387eV G3_3p3d=8.67587eV F0_3d3d=22.33636eV F2_3d3d=10.31571eV F4_3d3d=6.41351eV Z=25 3p05 3d00 Mn8+ SOC_3p=1.004eV Z=25 3p05 3d01 Mn7+ SOC_3p=0.952eV SOC_3d=0.073eV F0_3p3d=29.97171eV G1_3p3d=17.82944eV F2_3p3d=14.82822eV G3_3p3d=11.23428eV Z=25 3p05 3d02 Mn6+ SOC_3p=0.905eV SOC_3d=0.066eV F0_3p3d=28.97398eV G1_3p3d=17.34789eV F2_3p3d=14.28402eV G3_3p3d=10.84177eV F0_3d3d=28.81335eV F2_3d3d=14.18598eV F4_3d3d=9.01281eV Z=25 3p05 3d03 Mn5+ SOC_3p=0.863eV SOC_3d=0.059eV F0_3p3d=27.95114eV G1_3p3d=16.79296eV F2_3p3d=13.70441eV G3_3p3d=10.40691eV F0_3d3d=27.38220eV F2_3d3d=13.32763eV F4_3d3d=8.43291eV Z=25 3p05 3d04 Mn4+ SOC_3p=0.826eV SOC_3d=0.053eV F0_3p3d=26.89393eV G1_3p3d=16.14930eV F2_3p3d=13.08082eV G3_3p3d=9.92189eV F0_3d3d=25.88137eV F2_3d3d=12.42674eV F4_3d3d=7.82566eV Z=25 3p05 3d05 Mn3+ SOC_3p=0.795eV SOC_3d=0.047eV F0_3p3d=25.78748eV G1_3p3d=15.39453eV F2_3p3d=12.40026eV G3_3p3d=9.37553eV F0_3d3d=24.28509eV F2_3d3d=11.46863eV F4_3d3d=7.18197eV Z=25 3p05 3d06 Mn2+ SOC_3p=0.772eV SOC_3d=0.041eV F0_3p3d=24.60678eV G1_3p3d=14.49737eV F2_3p3d=11.64366eV G3_3p3d=8.75297eV F0_3d3d=22.55344eV F2_3d3d=10.43147eV F4_3d3d=6.48862eV Z=26 1s02 3d00 Fe8+ SOC_1s=0.000eV Z=26 1s02 3d01 Fe7+ SOC_1s=0.000eV SOC_3d=0.090eV F0_1s3d=42.56123eV G2_1s3d=0.08387eV Z=26 1s02 3d02 Fe6+ SOC_1s=0.000eV SOC_3d=0.082eV F0_1s3d=40.95925eV G2_1s3d=0.07493eV F0_3d3d=30.20621eV F2_3d3d=14.82994eV F4_3d3d=9.41204eV Z=26 1s02 3d03 Fe5+ SOC_1s=0.000eV SOC_3d=0.074eV F0_1s3d=39.30375eV G2_1s3d=0.06672eV F0_3d3d=28.74883eV F2_3d3d=13.95372eV F4_3d3d=8.82004eV Z=26 1s02 3d04 Fe4+ SOC_1s=0.000eV SOC_3d=0.066eV F0_1s3d=37.57743eV G2_1s3d=0.05919eV F0_3d3d=27.21367eV F2_3d3d=13.03028eV F4_3d3d=8.19767eV Z=26 1s02 3d05 Fe3+ SOC_1s=0.000eV SOC_3d=0.059eV F0_1s3d=35.75442eV G2_1s3d=0.05226eV F0_3d3d=25.57128eV F2_3d3d=12.04291eV F4_3d3d=7.53454eV Z=26 1s02 3d06 Fe2+ SOC_1s=0.000eV SOC_3d=0.052eV F0_1s3d=33.79532eV G2_1s3d=0.04588eV F0_3d3d=23.77518eV F2_3d3d=10.96626eV F4_3d3d=6.81525eV Z=26 1s01 3d00 Fe9+ SOC_1s=0.000eV Z=26 1s01 3d01 Fe8+ SOC_1s=0.000eV SOC_3d=0.122eV F0_1s3d=46.15660eV G2_1s3d=0.11168eV Z=26 1s01 3d02 Fe7+ SOC_1s=0.000eV SOC_3d=0.112eV F0_1s3d=44.61549eV G2_1s3d=0.10089eV F0_3d3d=33.05394eV F2_3d3d=16.33166eV F4_3d3d=10.38858eV Z=26 1s01 3d03 Fe6+ SOC_1s=0.000eV SOC_3d=0.102eV F0_1s3d=43.03586eV G2_1s3d=0.09093eV F0_3d3d=31.66648eV F2_3d3d=15.49544eV F4_3d3d=9.82245eV Z=26 1s01 3d04 Fe5+ SOC_1s=0.000eV SOC_3d=0.093eV F0_1s3d=41.40768eV G2_1s3d=0.08176eV F0_3d3d=30.22414eV F2_3d3d=14.62520eV F4_3d3d=9.23435eV Z=26 1s01 3d05 Fe4+ SOC_1s=0.000eV SOC_3d=0.084eV F0_1s3d=39.71544eV G2_1s3d=0.07331eV F0_3d3d=28.70904eV F2_3d3d=13.71053eV F4_3d3d=8.61776eV Z=26 1s01 3d06 Fe3+ SOC_1s=0.000eV SOC_3d=0.075eV F0_1s3d=37.93671eV G2_1s3d=0.06550eV F0_3d3d=27.09467eV F2_3d3d=12.73638eV F4_3d3d=7.96337eV Z=26 1s01 3d07 Fe2+ SOC_1s=0.000eV SOC_3d=0.067eV F0_1s3d=36.03802eV G2_1s3d=0.05829eV F0_3d3d=25.33976eV F2_3d3d=11.68024eV F4_3d3d=7.25753eV Z=26 2s02 3d00 Fe8+ SOC_2s=0.000eV Z=26 2s02 3d01 Fe7+ SOC_2s=0.000eV SOC_3d=0.090eV F0_2s3d=41.57828eV G2_2s3d=6.67355eV Z=26 2s02 3d02 Fe6+ SOC_2s=0.000eV SOC_3d=0.082eV F0_2s3d=40.07394eV G2_2s3d=6.06517eV F0_3d3d=30.20621eV F2_3d3d=14.82994eV F4_3d3d=9.41204eV Z=26 2s02 3d03 Fe5+ SOC_2s=0.000eV SOC_3d=0.074eV F0_2s3d=38.51003eV G2_2s3d=5.48297eV F0_3d3d=28.74883eV F2_3d3d=13.95372eV F4_3d3d=8.82004eV Z=26 2s02 3d04 Fe4+ SOC_2s=0.000eV SOC_3d=0.066eV F0_2s3d=36.86946eV G2_2s3d=4.92713eV F0_3d3d=27.21367eV F2_3d3d=13.03028eV F4_3d3d=8.19767eV Z=26 2s02 3d05 Fe3+ SOC_2s=0.000eV SOC_3d=0.059eV F0_2s3d=35.12666eV G2_2s3d=4.39735eV F0_3d3d=25.57128eV F2_3d3d=12.04291eV F4_3d3d=7.53454eV Z=26 2s02 3d06 Fe2+ SOC_2s=0.000eV SOC_3d=0.052eV F0_2s3d=33.24251eV G2_2s3d=3.89312eV F0_3d3d=23.77518eV F2_3d3d=10.96626eV F4_3d3d=6.81525eV Z=26 2s01 3d00 Fe9+ SOC_2s=0.000eV Z=26 2s01 3d01 Fe8+ SOC_2s=0.000eV SOC_3d=0.119eV F0_2s3d=44.70971eV G2_2s3d=8.06984eV Z=26 2s01 3d02 Fe7+ SOC_2s=0.000eV SOC_3d=0.109eV F0_2s3d=43.31567eV G2_2s3d=7.43357eV F0_3d3d=32.99534eV F2_3d3d=16.35392eV F4_3d3d=10.41397eV Z=26 2s01 3d03 Fe6+ SOC_2s=0.000eV SOC_3d=0.100eV F0_2s3d=41.87919eV G2_2s3d=6.82065eV F0_3d3d=31.64129eV F2_3d3d=15.53384eV F4_3d3d=9.85770eV Z=26 2s01 3d04 Fe5+ SOC_2s=0.000eV SOC_3d=0.090eV F0_2s3d=40.38969eV G2_2s3d=6.23145eV F0_3d3d=30.23361eV F2_3d3d=14.68029eV F4_3d3d=9.27977eV Z=26 2s01 3d05 Fe4+ SOC_2s=0.000eV SOC_3d=0.082eV F0_2s3d=38.83250eV G2_2s3d=5.66618eV F0_3d3d=28.75509eV F2_3d3d=13.78315eV F4_3d3d=8.67381eV Z=26 2s01 3d06 Fe3+ SOC_2s=0.000eV SOC_3d=0.074eV F0_2s3d=37.18684eV G2_2s3d=5.12507eV F0_3d3d=27.18047eV F2_3d3d=12.82786eV F4_3d3d=8.03077eV Z=26 2s01 3d07 Fe2+ SOC_2s=0.000eV SOC_3d=0.066eV F0_2s3d=35.41952eV G2_2s3d=4.60768eV F0_3d3d=25.46867eV F2_3d3d=11.79170eV F4_3d3d=7.33681eV Z=26 3s02 3d00 Fe8+ SOC_3s=0.000eV Z=26 3s02 3d01 Fe7+ SOC_3s=0.000eV SOC_3d=0.090eV F0_3s3d=31.76988eV G2_3s3d=14.43903eV Z=26 3s02 3d02 Fe6+ SOC_3s=0.000eV SOC_3d=0.082eV F0_3s3d=30.82631eV G2_3s3d=14.03025eV F0_3d3d=30.20621eV F2_3d3d=14.82994eV F4_3d3d=9.41204eV Z=26 3s02 3d03 Fe5+ SOC_3s=0.000eV SOC_3d=0.074eV F0_3s3d=29.84820eV G2_3s3d=13.55115eV F0_3d3d=28.74883eV F2_3d3d=13.95372eV F4_3d3d=8.82004eV Z=26 3s02 3d04 Fe4+ SOC_3s=0.000eV SOC_3d=0.066eV F0_3s3d=28.82217eV G2_3s3d=12.98820eV F0_3d3d=27.21367eV F2_3d3d=13.03028eV F4_3d3d=8.19767eV Z=26 3s02 3d05 Fe3+ SOC_3s=0.000eV SOC_3d=0.059eV F0_3s3d=27.72688eV G2_3s3d=12.32365eV F0_3d3d=25.57128eV F2_3d3d=12.04291eV F4_3d3d=7.53454eV Z=26 3s02 3d06 Fe2+ SOC_3s=0.000eV SOC_3d=0.052eV F0_3s3d=26.52698eV G2_3s3d=11.53491eV F0_3d3d=23.77518eV F2_3d3d=10.96626eV F4_3d3d=6.81525eV Z=26 3s01 3d00 Fe9+ SOC_3s=0.000eV Z=26 3s01 3d01 Fe8+ SOC_3s=0.000eV SOC_3d=0.099eV F0_3s3d=32.66033eV G2_3s3d=14.77502eV Z=26 3s01 3d02 Fe7+ SOC_3s=0.000eV SOC_3d=0.091eV F0_3s3d=31.76866eV G2_3s3d=14.43228eV F0_3d3d=31.57003eV F2_3d3d=15.64528eV F4_3d3d=9.96320eV Z=26 3s01 3d03 Fe6+ SOC_3s=0.000eV SOC_3d=0.082eV F0_3s3d=30.85649eV G2_3s3d=14.03416eV F0_3d3d=30.21692eV F2_3d3d=14.83131eV F4_3d3d=9.41206eV Z=26 3s01 3d04 Fe5+ SOC_3s=0.000eV SOC_3d=0.074eV F0_3s3d=29.91702eV G2_3s3d=13.57231eV F0_3d3d=28.81600eV F2_3d3d=13.98744eV F4_3d3d=8.84162eV Z=26 3s01 3d05 Fe4+ SOC_3s=0.000eV SOC_3d=0.067eV F0_3s3d=28.93991eV G2_3s3d=13.03625eV F0_3d3d=27.35203eV F2_3d3d=13.10467eV F4_3d3d=8.24625eV Z=26 3s01 3d06 Fe3+ SOC_3s=0.000eV SOC_3d=0.060eV F0_3s3d=27.90892eV G2_3s3d=12.41283eV F0_3d3d=25.80215eV F2_3d3d=12.16992eV F4_3d3d=7.61785eV Z=26 3s01 3d07 Fe2+ SOC_3s=0.000eV SOC_3d=0.054eV F0_3s3d=26.79754eV G2_3s3d=11.68612eV F0_3d3d=24.13071eV F2_3d3d=11.16357eV F4_3d3d=6.94454eV Z=26 2p06 3d00 Fe8+ SOC_2p=7.903eV Z=26 2p06 3d01 Fe7+ SOC_2p=7.894eV SOC_3d=0.090eV F0_2p3d=41.81158eV G1_2p3d=7.31201eV F2_2p3d=9.36224eV G3_2p3d=4.16932eV Z=26 2p06 3d02 Fe6+ SOC_2p=7.888eV SOC_3d=0.082eV F0_2p3d=40.28311eV G1_2p3d=6.65145eV F2_2p3d=8.67588eV G3_2p3d=3.78804eV F0_3d3d=30.20621eV F2_3d3d=14.82994eV F4_3d3d=9.41204eV Z=26 2p06 3d03 Fe5+ SOC_2p=7.884eV SOC_3d=0.074eV F0_2p3d=38.69687eV G1_2p3d=6.01779eV F2_2p3d=7.99773eV G3_2p3d=3.42332eV F0_3d3d=28.74883eV F2_3d3d=13.95372eV F4_3d3d=8.82004eV Z=26 2p06 3d04 Fe4+ SOC_2p=7.882eV SOC_3d=0.066eV F0_2p3d=37.03564eV G1_2p3d=5.41140eV F2_2p3d=7.32712eV G3_2p3d=3.07527eV F0_3d3d=27.21367eV F2_3d3d=13.03028eV F4_3d3d=8.19767eV Z=26 2p06 3d05 Fe3+ SOC_2p=7.882eV SOC_3d=0.059eV F0_2p3d=35.27370eV G1_2p3d=4.83212eV F2_2p3d=6.66268eV G3_2p3d=2.74370eV F0_3d3d=25.57128eV F2_3d3d=12.04291eV F4_3d3d=7.53454eV Z=26 2p06 3d06 Fe2+ SOC_2p=7.883eV SOC_3d=0.052eV F0_2p3d=33.37185eV G1_2p3d=4.27963eV F2_2p3d=6.00250eV G3_2p3d=2.42830eV F0_3d3d=23.77518eV F2_3d3d=10.96626eV F4_3d3d=6.81525eV Z=26 2p05 3d00 Fe9+ SOC_2p=8.235eV Z=26 2p05 3d01 Fe8+ SOC_2p=8.222eV SOC_3d=0.119eV F0_2p3d=45.06178eV G1_2p3d=8.75247eV F2_2p3d=10.79438eV G3_2p3d=5.00448eV Z=26 2p05 3d02 Fe7+ SOC_2p=8.212eV SOC_3d=0.110eV F0_2p3d=43.63360eV G1_2p3d=8.06620eV F2_2p3d=10.11048eV G3_2p3d=4.60644eV F0_3d3d=33.01308eV F2_3d3d=16.35472eV F4_3d3d=10.41267eV Z=26 2p05 3d03 Fe6+ SOC_2p=8.205eV SOC_3d=0.100eV F0_2p3d=42.16447eV G1_2p3d=7.40382eV F2_2p3d=9.43401eV G3_2p3d=4.22332eV F0_3d3d=31.65362eV F2_3d3d=15.53202eV F4_3d3d=9.85480eV Z=26 2p05 3d04 Fe5+ SOC_2p=8.201eV SOC_3d=0.091eV F0_2p3d=40.64420eV G1_2p3d=6.76617eV F2_2p3d=8.76495eV G3_2p3d=3.85552eV F0_3d3d=30.24063eV F2_3d3d=14.67591eV F4_3d3d=9.27532eV Z=26 2p05 3d05 Fe4+ SOC_2p=8.199eV SOC_3d=0.082eV F0_2p3d=39.05762eV G1_2p3d=6.15347eV F2_2p3d=8.10255eV G3_2p3d=3.50307eV F0_3d3d=28.75656eV F2_3d3d=13.77612eV F4_3d3d=8.66776eV Z=26 2p05 3d06 Fe3+ SOC_2p=8.199eV SOC_3d=0.074eV F0_2p3d=37.38353eV G1_2p3d=5.56599eV F2_2p3d=7.44590eV G3_2p3d=3.16604eV F0_3d3d=27.17590eV F2_3d3d=12.81800eV F4_3d3d=8.02304eV Z=26 2p05 3d07 Fe2+ SOC_2p=8.200eV SOC_3d=0.067eV F0_2p3d=35.58875eV G1_2p3d=5.00352eV F2_2p3d=6.79327eV G3_2p3d=2.84422eV F0_3d3d=25.45765eV F2_3d3d=11.77890eV F4_3d3d=7.32733eV Z=26 3p06 3d00 Fe8+ SOC_3p=1.196eV Z=26 3p06 3d01 Fe7+ SOC_3p=1.139eV SOC_3d=0.090eV F0_3p3d=31.35773eV G1_3p3d=18.60607eV F2_3p3d=15.47368eV G3_3p3d=11.70959eV Z=26 3p06 3d02 Fe6+ SOC_3p=1.086eV SOC_3d=0.082eV F0_3p3d=30.34966eV G1_3p3d=18.11684eV F2_3p3d=14.92170eV G3_3p3d=11.31121eV F0_3d3d=30.20621eV F2_3d3d=14.82994eV F4_3d3d=9.41204eV Z=26 3p06 3d03 Fe5+ SOC_3p=1.038eV SOC_3d=0.074eV F0_3p3d=29.31321eV G1_3p3d=17.55428eV F2_3p3d=14.33337eV G3_3p3d=10.87030eV F0_3d3d=28.74883eV F2_3d3d=13.95372eV F4_3d3d=8.82004eV Z=26 3p06 3d04 Fe4+ SOC_3p=0.995eV SOC_3d=0.066eV F0_3p3d=28.23784eV G1_3p3d=16.90137eV F2_3p3d=13.69895eV G3_3p3d=10.37798eV F0_3d3d=27.21367eV F2_3d3d=13.03028eV F4_3d3d=8.19767eV Z=26 3p06 3d05 Fe3+ SOC_3p=0.960eV SOC_3d=0.059eV F0_3p3d=27.10655eV G1_3p3d=16.13374eV F2_3p3d=13.00408eV G3_3p3d=9.82189eV F0_3d3d=25.57128eV F2_3d3d=12.04291eV F4_3d3d=7.53454eV Z=26 3p06 3d06 Fe2+ SOC_3p=0.933eV SOC_3d=0.052eV F0_3p3d=25.89051eV G1_3p3d=15.21607eV F2_3p3d=12.22696eV G3_3p3d=9.18475eV F0_3d3d=23.77518eV F2_3d3d=10.96626eV F4_3d3d=6.81525eV Z=26 3p05 3d00 Fe9+ SOC_3p=1.259eV Z=26 3p05 3d01 Fe8+ SOC_3p=1.197eV SOC_3d=0.099eV F0_3p3d=32.28324eV G1_3p3d=19.00713eV F2_3p3d=15.96232eV G3_3p3d=12.04884eV Z=26 3p05 3d02 Fe7+ SOC_3p=1.141eV SOC_3d=0.090eV F0_3p3d=31.31515eV G1_3p3d=18.58170eV F2_3p3d=15.44760eV G3_3p3d=11.69015eV F0_3d3d=31.51568eV F2_3d3d=15.61112eV F4_3d3d=9.93979eV Z=26 3p05 3d03 Fe6+ SOC_3p=1.090eV SOC_3d=0.082eV F0_3p3d=30.32968eV G1_3p3d=18.09837eV F2_3p3d=14.90593eV G3_3p3d=11.29769eV F0_3d3d=30.14655eV F2_3d3d=14.78808eV F4_3d3d=9.38267eV Z=26 3p05 3d04 Fe5+ SOC_3p=1.043eV SOC_3d=0.074eV F0_3p3d=29.32144eV G1_3p3d=17.54657eV F2_3p3d=14.33158eV G3_3p3d=10.86603eV F0_3d3d=28.72723eV F2_3d3d=13.93380eV F4_3d3d=8.80540eV Z=26 3p05 3d05 Fe4+ SOC_3p=1.003eV SOC_3d=0.066eV F0_3p3d=28.28227eV G1_3p3d=16.91217eV F2_3p3d=13.71669eV G3_3p3d=10.38805eV F0_3d3d=27.24201eV F2_3d3d=13.03909eV F4_3d3d=8.20223eV Z=26 3p05 3d06 Fe3+ SOC_3p=0.969eV SOC_3d=0.059eV F0_3p3d=27.19928eV G1_3p3d=16.17579eV F2_3p3d=13.05013eV G3_3p3d=9.85434eV F0_3d3d=25.66766eV F2_3d3d=12.09075eV F4_3d3d=7.56503eV Z=26 3p05 3d07 Fe2+ SOC_3p=0.943eV SOC_3d=0.053eV F0_3p3d=26.05103eV G1_3p3d=15.31098eV F2_3p3d=12.31583eV G3_3p3d=9.25263eV F0_3d3d=23.96861eV F2_3d3d=11.06941eV F4_3d3d=6.88217eV Z=27 1s02 3d00 Co9+ SOC_1s=0.000eV Z=27 1s02 3d01 Co8+ SOC_1s=0.000eV SOC_3d=0.120eV F0_1s3d=45.98653eV G2_1s3d=0.10044eV Z=27 1s02 3d02 Co7+ SOC_1s=0.000eV SOC_3d=0.110eV F0_1s3d=44.44260eV G2_1s3d=0.09068eV F0_3d3d=32.92311eV F2_3d3d=16.26582eV F4_3d3d=10.34648eV Z=27 1s02 3d03 Co6+ SOC_1s=0.000eV SOC_3d=0.100eV F0_1s3d=42.85908eV G2_1s3d=0.08167eV F0_3d3d=31.53272eV F2_3d3d=15.42810eV F4_3d3d=9.77938eV Z=27 1s02 3d04 Co5+ SOC_1s=0.000eV SOC_3d=0.091eV F0_1s3d=41.22627eV G2_1s3d=0.07337eV F0_3d3d=30.08680eV F2_3d3d=14.55601eV F4_3d3d=9.19009eV Z=27 1s02 3d05 Co4+ SOC_1s=0.000eV SOC_3d=0.082eV F0_1s3d=39.52959eV G2_1s3d=0.06573eV F0_3d3d=28.56813eV F2_3d3d=13.63947eV F4_3d3d=8.57231eV Z=27 1s02 3d06 Co3+ SOC_1s=0.000eV SOC_3d=0.074eV F0_1s3d=37.74564eV G2_1s3d=0.05868eV F0_3d3d=26.94951eV F2_3d3d=12.66316eV F4_3d3d=7.91657eV Z=27 1s02 3d07 Co2+ SOC_1s=0.000eV SOC_3d=0.066eV F0_1s3d=35.84122eV G2_1s3d=0.05218eV F0_3d3d=25.18997eV F2_3d3d=11.60483eV F4_3d3d=7.20942eV Z=27 1s01 3d00 Co10+ SOC_1s=0.000eV Z=27 1s01 3d01 Co9+ SOC_1s=0.000eV SOC_3d=0.159eV F0_1s3d=49.51252eV G2_1s3d=0.13039eV Z=27 1s01 3d02 Co8+ SOC_1s=0.000eV SOC_3d=0.147eV F0_1s3d=48.01526eV G2_1s3d=0.11877eV F0_3d3d=35.70231eV F2_3d3d=17.73078eV F4_3d3d=11.29933eV Z=27 1s01 3d03 Co7+ SOC_1s=0.000eV SOC_3d=0.135eV F0_1s3d=46.48779eV G2_1s3d=0.10800eV F0_3d3d=34.36351eV F2_3d3d=16.92266eV F4_3d3d=10.75138eV Z=27 1s01 3d04 Co6+ SOC_1s=0.000eV SOC_3d=0.123eV F0_1s3d=44.92502eV G2_1s3d=0.09804eV F0_3d3d=32.98364eV F2_3d3d=16.08862eV F4_3d3d=10.18667eV Z=27 1s01 3d05 Co5+ SOC_1s=0.000eV SOC_3d=0.113eV F0_1s3d=43.31730eV G2_1s3d=0.08883eV F0_3d3d=31.55130eV F2_3d3d=15.22190eV F4_3d3d=9.60092eV Z=27 1s01 3d06 Co4+ SOC_1s=0.000eV SOC_3d=0.103eV F0_1s3d=41.64988eV G2_1s3d=0.08030eV F0_3d3d=30.04937eV F2_3d3d=14.31261eV F4_3d3d=8.98796eV Z=27 1s01 3d07 Co3+ SOC_1s=0.000eV SOC_3d=0.093eV F0_1s3d=39.90337eV G2_1s3d=0.07241eV F0_3d3d=28.45392eV F2_3d3d=13.34720eV F4_3d3d=8.33946eV Z=27 1s01 3d08 Co2+ SOC_1s=0.000eV SOC_3d=0.084eV F0_1s3d=38.04903eV G2_1s3d=0.06510eV F0_3d3d=26.72798eV F2_3d3d=12.30562eV F4_3d3d=7.64336eV Z=27 2s02 3d00 Co9+ SOC_2s=0.000eV Z=27 2s02 3d01 Co8+ SOC_2s=0.000eV SOC_3d=0.120eV F0_2s3d=44.84360eV G2_2s3d=7.64176eV Z=27 2s02 3d02 Co7+ SOC_2s=0.000eV SOC_3d=0.110eV F0_2s3d=43.40207eV G2_2s3d=7.01844eV F0_3d3d=32.92311eV F2_3d3d=16.26582eV F4_3d3d=10.34648eV Z=27 2s02 3d03 Co6+ SOC_2s=0.000eV SOC_3d=0.100eV F0_2s3d=41.91513eV G2_2s3d=6.41935eV F0_3d3d=31.53272eV F2_3d3d=15.42810eV F4_3d3d=9.77938eV Z=27 2s02 3d04 Co5+ SOC_2s=0.000eV SOC_3d=0.091eV F0_2s3d=40.37311eV G2_2s3d=5.84548eV F0_3d3d=30.08680eV F2_3d3d=14.55601eV F4_3d3d=9.19009eV Z=27 2s02 3d05 Co4+ SOC_2s=0.000eV SOC_3d=0.082eV F0_2s3d=38.76159eV G2_2s3d=5.29726eV F0_3d3d=28.56813eV F2_3d3d=13.63947eV F4_3d3d=8.57231eV Z=27 2s02 3d06 Co3+ SOC_2s=0.000eV SOC_3d=0.074eV F0_2s3d=37.05746eV G2_2s3d=4.77421eV F0_3d3d=26.94951eV F2_3d3d=12.66316eV F4_3d3d=7.91657eV Z=27 2s02 3d07 Co2+ SOC_2s=0.000eV SOC_3d=0.066eV F0_2s3d=35.22774eV G2_2s3d=4.27624eV F0_3d3d=25.18997eV F2_3d3d=11.60483eV F4_3d3d=7.20942eV Z=27 2s01 3d00 Co10+ SOC_2s=0.000eV Z=27 2s01 3d01 Co9+ SOC_2s=0.000eV SOC_3d=0.154eV F0_2s3d=47.85400eV G2_2s3d=9.04293eV Z=27 2s01 3d02 Co8+ SOC_2s=0.000eV SOC_3d=0.143eV F0_2s3d=46.50323eV G2_2s3d=8.39521eV F0_3d3d=35.60583eV F2_3d3d=17.73503eV F4_3d3d=11.31361eV Z=27 2s01 3d03 Co7+ SOC_2s=0.000eV SOC_3d=0.131eV F0_2s3d=45.11967eV G2_2s3d=7.76939eV F0_3d3d=34.29760eV F2_3d3d=16.94172eV F4_3d3d=10.77473eV Z=27 2s01 3d04 Co6+ SOC_2s=0.000eV SOC_3d=0.120eV F0_2s3d=43.69626eV G2_2s3d=7.16618eV F0_3d3d=32.94932eV F2_3d3d=16.12294eV F4_3d3d=10.21933eV Z=27 2s01 3d05 Co5+ SOC_2s=0.000eV SOC_3d=0.110eV F0_2s3d=42.22250eV G2_2s3d=6.58563eV F0_3d3d=31.54895eV F2_3d3d=15.27160eV F4_3d3d=9.64292eV Z=27 2s01 3d06 Co4+ SOC_2s=0.000eV SOC_3d=0.100eV F0_2s3d=40.68602eV G2_2s3d=6.02837eV F0_3d3d=30.08116eV F2_3d3d=14.37863eV F4_3d3d=9.03983eV Z=27 2s01 3d07 Co3+ SOC_2s=0.000eV SOC_3d=0.091eV F0_2s3d=39.06769eV G2_2s3d=5.49443eV F0_3d3d=28.52223eV F2_3d3d=13.43050eV F4_3d3d=8.40170eV Z=27 2s01 3d08 Co2+ SOC_2s=0.000eV SOC_3d=0.083eV F0_2s3d=37.33861eV G2_2s3d=4.98368eV F0_3d3d=26.83511eV F2_3d3d=12.40683eV F4_3d3d=7.71619eV Z=27 3s02 3d00 Co9+ SOC_3s=0.000eV Z=27 3s02 3d01 Co8+ SOC_3s=0.000eV SOC_3d=0.120eV F0_3s3d=34.01447eV G2_3s3d=15.33836eV Z=27 3s02 3d02 Co7+ SOC_3s=0.000eV SOC_3d=0.110eV F0_3s3d=33.10687eV G2_3s3d=14.98720eV F0_3d3d=32.92311eV F2_3d3d=16.26582eV F4_3d3d=10.34648eV Z=27 3s02 3d03 Co6+ SOC_3s=0.000eV SOC_3d=0.100eV F0_3s3d=32.17493eV G2_3s3d=14.57922eV F0_3d3d=31.53272eV F2_3d3d=15.42810eV F4_3d3d=9.77938eV Z=27 3s02 3d04 Co5+ SOC_3s=0.000eV SOC_3d=0.091eV F0_3s3d=31.21129eV G2_3s3d=14.10522eV F0_3d3d=30.08680eV F2_3d3d=14.55601eV F4_3d3d=9.19009eV Z=27 3s02 3d05 Co4+ SOC_3s=0.000eV SOC_3d=0.082eV F0_3s3d=30.20456eV G2_3s3d=13.55328eV F0_3d3d=28.56813eV F2_3d3d=13.63947eV F4_3d3d=8.57231eV Z=27 3s02 3d06 Co3+ SOC_3s=0.000eV SOC_3d=0.074eV F0_3s3d=29.13513eV G2_3s3d=12.90857eV F0_3d3d=26.94951eV F2_3d3d=12.66316eV F4_3d3d=7.91657eV Z=27 3s02 3d07 Co2+ SOC_3s=0.000eV SOC_3d=0.066eV F0_3s3d=27.97267eV G2_3s3d=12.15239eV F0_3d3d=25.18997eV F2_3d3d=11.60483eV F4_3d3d=7.20942eV Z=27 3s01 3d00 Co10+ SOC_3s=0.000eV Z=27 3s01 3d01 Co9+ SOC_3s=0.000eV SOC_3d=0.131eV F0_3s3d=34.85678eV G2_3s3d=15.62467eV Z=27 3s01 3d02 Co8+ SOC_3s=0.000eV SOC_3d=0.120eV F0_3s3d=33.98891eV G2_3s3d=15.32591eV F0_3d3d=34.19792eV F2_3d3d=17.03037eV F4_3d3d=10.86429eV Z=27 3s01 3d03 Co7+ SOC_3s=0.000eV SOC_3d=0.110eV F0_3s3d=33.10614eV G2_3s3d=14.98077eV F0_3d3d=32.88790eV F2_3d3d=16.24107eV F4_3d3d=10.32907eV Z=27 3s01 3d04 Co6+ SOC_3s=0.000eV SOC_3d=0.101eV F0_3s3d=32.20398eV G2_3s3d=14.58297eV F0_3d3d=31.54128eV F2_3d3d=15.42854eV F4_3d3d=9.77884eV Z=27 3s01 3d05 Co5+ SOC_3s=0.000eV SOC_3d=0.092eV F0_3s3d=31.27634eV G2_3s3d=14.12498eV F0_3d3d=30.14838eV F2_3d3d=14.58696eV F4_3d3d=9.20992eV Z=27 3s01 3d06 Co4+ SOC_3s=0.000eV SOC_3d=0.083eV F0_3s3d=30.31450eV G2_3s3d=13.59748eV F0_3d3d=28.69573eV F2_3d3d=13.70834eV F4_3d3d=8.61733eV Z=27 3s01 3d07 Co3+ SOC_3s=0.000eV SOC_3d=0.075eV F0_3s3d=29.30314eV G2_3s3d=12.98933eV F0_3d3d=27.16173eV F2_3d3d=12.78041eV F4_3d3d=7.99352eV Z=27 3s01 3d08 Co2+ SOC_3s=0.000eV SOC_3d=0.068eV F0_3s3d=28.21871eV G2_3s3d=12.28697eV F0_3d3d=25.51391eV F2_3d3d=11.78542eV F4_3d3d=7.32785eV Z=27 2p06 3d00 Co9+ SOC_2p=9.420eV Z=27 2p06 3d01 Co8+ SOC_2p=9.408eV SOC_3d=0.120eV F0_2p3d=45.12134eV G1_2p3d=8.33766eV F2_2p3d=10.46528eV G3_2p3d=4.75949eV Z=27 2p06 3d02 Co7+ SOC_2p=9.398eV SOC_3d=0.110eV F0_2p3d=43.65379eV G1_2p3d=7.66387eV F2_2p3d=9.78182eV G3_2p3d=4.36964eV F0_3d3d=32.92311eV F2_3d3d=16.26582eV F4_3d3d=10.34648eV Z=27 2p06 3d03 Co6+ SOC_2p=9.392eV SOC_3d=0.100eV F0_2p3d=42.14262eV G1_2p3d=7.01485eV F2_2p3d=9.10653eV G3_2p3d=3.99514eV F0_3d3d=31.53272eV F2_3d3d=15.42810eV F4_3d3d=9.77938eV Z=27 2p06 3d04 Co5+ SOC_2p=9.388eV SOC_3d=0.091eV F0_2p3d=40.57810eV G1_2p3d=6.39186eV F2_2p3d=8.43984eV G3_2p3d=3.63662eV F0_3d3d=30.08680eV F2_3d3d=14.55601eV F4_3d3d=9.19009eV Z=27 2p06 3d05 Co4+ SOC_2p=9.386eV SOC_3d=0.082eV F0_2p3d=38.94568eV G1_2p3d=5.79559eV F2_2p3d=7.78158eV G3_2p3d=3.29437eV F0_3d3d=28.56813eV F2_3d3d=13.63947eV F4_3d3d=8.57231eV Z=27 2p06 3d06 Co3+ SOC_2p=9.386eV SOC_3d=0.074eV F0_2p3d=37.22214eV G1_2p3d=5.22557eV F2_2p3d=7.13035eV G3_2p3d=2.96805eV F0_3d3d=26.94951eV F2_3d3d=12.66316eV F4_3d3d=7.91657eV Z=27 2p06 3d07 Co2+ SOC_2p=9.388eV SOC_3d=0.066eV F0_2p3d=35.37440eV G1_2p3d=4.68189eV F2_2p3d=6.48502eV G3_2p3d=2.65759eV F0_3d3d=25.18997eV F2_3d3d=11.60483eV F4_3d3d=7.20942eV Z=27 2p05 3d00 Co10+ SOC_2p=9.800eV Z=27 2p05 3d01 Co9+ SOC_2p=9.783eV SOC_3d=0.155eV F0_2p3d=48.26255eV G1_2p3d=9.77980eV F2_2p3d=11.87698eV G3_2p3d=5.59710eV Z=27 2p05 3d02 Co8+ SOC_2p=9.769eV SOC_3d=0.144eV F0_2p3d=46.87646eV G1_2p3d=9.08325eV F2_2p3d=11.19532eV G3_2p3d=5.19229eV F0_3d3d=35.63049eV F2_3d3d=17.73906eV F4_3d3d=11.31428eV Z=27 2p05 3d03 Co7+ SOC_2p=9.759eV SOC_3d=0.132eV F0_2p3d=45.45826eV G1_2p3d=8.40877eV F2_2p3d=10.52095eV G3_2p3d=4.80133eV F0_3d3d=34.31664eV F2_3d3d=16.94300eV F4_3d3d=10.77371eV Z=27 2p05 3d04 Co6+ SOC_2p=9.752eV SOC_3d=0.121eV F0_2p3d=44.00298eV G1_2p3d=7.75835eV F2_2p3d=9.85498eV G3_2p3d=4.42528eV F0_3d3d=32.96352eV F2_3d3d=16.12186eV F4_3d3d=10.21688eV Z=27 2p05 3d05 Co5+ SOC_2p=9.748eV SOC_3d=0.111eV F0_2p3d=42.49894eV G1_2p3d=7.13148eV F2_2p3d=9.19635eV G3_2p3d=4.06379eV F0_3d3d=31.55823eV F2_3d3d=15.26815eV F4_3d3d=9.63903eV Z=27 2p05 3d06 Co4+ SOC_2p=9.746eV SOC_3d=0.101eV F0_2p3d=40.93337eV G1_2p3d=6.52886eV F2_2p3d=8.54490eV G3_2p3d=3.71719eV F0_3d3d=30.08517eV F2_3d3d=14.37267eV F4_3d3d=9.03443eV Z=27 2p05 3d07 Co3+ SOC_2p=9.746eV SOC_3d=0.092eV F0_2p3d=39.28723eV G1_2p3d=5.95074eV F2_2p3d=7.89989eV G3_2p3d=3.38554eV F0_3d3d=28.52078eV F2_3d3d=13.42198eV F4_3d3d=8.39478eV Z=27 2p05 3d08 Co2+ SOC_2p=9.748eV SOC_3d=0.083eV F0_2p3d=37.53156eV G1_2p3d=5.39718eV F2_2p3d=7.26013eV G3_2p3d=3.06877eV F0_3d3d=26.82798eV F2_3d3d=12.39572eV F4_3d3d=7.70776eV Z=27 3p06 3d00 Co9+ SOC_3p=1.486eV Z=27 3p06 3d01 Co8+ SOC_3p=1.418eV SOC_3d=0.120eV F0_3p3d=33.67443eV G1_3p3d=19.78817eV F2_3p3d=16.61184eV G3_3p3d=12.52756eV Z=27 3p06 3d02 Co7+ SOC_3p=1.355eV SOC_3d=0.110eV F0_3p3d=32.69789eV G1_3p3d=19.35570eV F2_3p3d=16.09052eV G3_3p3d=12.16354eV F0_3d3d=32.92311eV F2_3d3d=16.26582eV F4_3d3d=10.34648eV Z=27 3p06 3d03 Co6+ SOC_3p=1.297eV SOC_3d=0.100eV F0_3p3d=31.70174eV G1_3p3d=18.86399eV F2_3p3d=15.54070eV G3_3p3d=11.76486eV F0_3d3d=31.53272eV F2_3d3d=15.42810eV F4_3d3d=9.77938eV Z=27 3p06 3d04 Co5+ SOC_3p=1.245eV SOC_3d=0.091eV F0_3p3d=30.67959eV G1_3p3d=18.30346eV F2_3p3d=14.95710eV G3_3p3d=11.32656eV F0_3d3d=30.08680eV F2_3d3d=14.55601eV F4_3d3d=9.19009eV Z=27 3p06 3d05 Co4+ SOC_3p=1.198eV SOC_3d=0.082eV F0_3p3d=29.62205eV G1_3p3d=17.66023eV F2_3p3d=14.33184eV G3_3p3d=10.84159eV F0_3d3d=28.56813eV F2_3d3d=13.63947eV F4_3d3d=8.57231eV Z=27 3p06 3d06 Co3+ SOC_3p=1.158eV SOC_3d=0.074eV F0_3p3d=28.51468eV G1_3p3d=16.91127eV F2_3p3d=13.65150eV G3_3p3d=10.29841eV F0_3d3d=26.94951eV F2_3d3d=12.66316eV F4_3d3d=7.91657eV Z=27 3p06 3d07 Co2+ SOC_3p=1.128eV SOC_3d=0.066eV F0_3p3d=27.33281eV G1_3p3d=16.02698eV F2_3p3d=12.89791eV G3_3p3d=9.68291eV F0_3d3d=25.18997eV F2_3d3d=11.60483eV F4_3d3d=7.20942eV Z=27 3p05 3d00 Co10+ SOC_3p=1.557eV Z=27 3p05 3d01 Co9+ SOC_3p=1.486eV SOC_3d=0.130eV F0_3p3d=34.56253eV G1_3p3d=20.14326eV F2_3p3d=17.07142eV G3_3p3d=12.83725eV Z=27 3p05 3d02 Co8+ SOC_3p=1.420eV SOC_3d=0.120eV F0_3p3d=33.61649eV G1_3p3d=19.76146eV F2_3p3d=16.57932eV G3_3p3d=12.50507eV F0_3d3d=34.15945eV F2_3d3d=17.00507eV F4_3d3d=10.84673eV Z=27 3p05 3d03 Co7+ SOC_3p=1.358eV SOC_3d=0.110eV F0_3p3d=32.65783eV G1_3p3d=19.33192eV F2_3p3d=16.06560eV G3_3p3d=12.14476eV F0_3d3d=32.83625eV F2_3d3d=16.20826eV F4_3d3d=10.30654eV Z=27 3p05 3d04 Co6+ SOC_3p=1.302eV SOC_3d=0.100eV F0_3p3d=31.68334eV G1_3p3d=18.84635eV F2_3p3d=15.52592eV G3_3p3d=11.75205eV F0_3d3d=31.47471eV F2_3d3d=15.38724eV F4_3d3d=9.75071eV Z=27 3p05 3d05 Co5+ SOC_3p=1.252eV SOC_3d=0.091eV F0_3p3d=30.68797eV G1_3p3d=18.29586eV F2_3p3d=14.95548eV G3_3p3d=11.32246eV F0_3d3d=30.06488eV F2_3d3d=14.53604eV F4_3d3d=9.17547eV Z=27 3p05 3d06 Co4+ SOC_3p=1.206eV SOC_3d=0.083eV F0_3p3d=29.66415eV G1_3p3d=17.66963eV F2_3p3d=14.34834eV G3_3p3d=10.85074eV F0_3d3d=28.59288eV F2_3d3d=13.64649eV F4_3d3d=8.57574eV Z=27 3p05 3d07 Co3+ SOC_3p=1.168eV SOC_3d=0.075eV F0_3p3d=28.60085eV G1_3p3d=16.94876eV F2_3p3d=13.69374eV G3_3p3d=10.32779eV F0_3d3d=27.03678eV F2_3d3d=12.70623eV F4_3d3d=7.94396eV Z=27 3p05 3d08 Co2+ SOC_3p=1.140eV SOC_3d=0.067eV F0_3p3d=27.47929eV G1_3p3d=16.11061eV F2_3p3d=12.97798eV G3_3p3d=9.74339eV F0_3d3d=25.36441eV F2_3d3d=11.69785eV F4_3d3d=7.26976eV Z=28 1s02 3d00 Ni10+ SOC_1s=0.000eV Z=28 1s02 3d01 Ni9+ SOC_1s=0.000eV SOC_3d=0.156eV F0_1s3d=49.35030eV G2_1s3d=0.11789eV Z=28 1s02 3d02 Ni8+ SOC_1s=0.000eV SOC_3d=0.145eV F0_1s3d=47.85160eV G2_1s3d=0.10733eV F0_3d3d=35.57820eV F2_3d3d=17.66824eV F4_3d3d=11.25932eV Z=28 1s02 3d03 Ni7+ SOC_1s=0.000eV SOC_3d=0.133eV F0_1s3d=46.32254eV G2_1s3d=0.09755eV F0_3d3d=34.23820eV F2_3d3d=16.85948eV F4_3d3d=10.71096eV Z=28 1s02 3d04 Ni6+ SOC_1s=0.000eV SOC_3d=0.121eV F0_1s3d=44.75675eV G2_1s3d=0.08850eV F0_3d3d=32.85602eV F2_3d3d=16.02423eV F4_3d3d=10.14547eV Z=28 1s02 3d05 Ni5+ SOC_1s=0.000eV SOC_3d=0.111eV F0_1s3d=43.14470eV G2_1s3d=0.08013eV F0_3d3d=31.42032eV F2_3d3d=15.15577eV F4_3d3d=9.55860eV Z=28 1s02 3d06 Ni4+ SOC_1s=0.000eV SOC_3d=0.101eV F0_1s3d=41.47286eV G2_1s3d=0.07239eV F0_3d3d=29.91485eV F2_3d3d=14.24465eV F4_3d3d=8.94448eV Z=28 1s02 3d07 Ni3+ SOC_1s=0.000eV SOC_3d=0.091eV F0_1s3d=39.72166eV G2_1s3d=0.06523eV F0_3d3d=28.31557eV F2_3d3d=13.27731eV F4_3d3d=8.29478eV Z=28 1s02 3d08 Ni2+ SOC_1s=0.000eV SOC_3d=0.083eV F0_1s3d=37.86248eV G2_1s3d=0.05860eV F0_3d3d=26.58568eV F2_3d3d=12.23388eV F4_3d3d=7.59758eV Z=28 1s01 3d00 Ni11+ SOC_1s=0.000eV Z=28 1s01 3d01 Ni10+ SOC_1s=0.000eV SOC_3d=0.202eV F0_1s3d=52.82382eV G2_1s3d=0.14988eV Z=28 1s01 3d02 Ni9+ SOC_1s=0.000eV SOC_3d=0.188eV F0_1s3d=51.36081eV G2_1s3d=0.13746eV F0_3d3d=38.30566eV F2_3d3d=19.10552eV F4_3d3d=12.19433eV Z=28 1s01 3d03 Ni8+ SOC_1s=0.000eV SOC_3d=0.174eV F0_1s3d=49.87481eV G2_1s3d=0.12591eV F0_3d3d=37.00524eV F2_3d3d=18.31951eV F4_3d3d=11.66071eV Z=28 1s01 3d04 Ni7+ SOC_1s=0.000eV SOC_3d=0.161eV F0_1s3d=48.36099eV G2_1s3d=0.11518eV F0_3d3d=35.67206eV F2_3d3d=17.51263eV F4_3d3d=11.11356eV Z=28 1s01 3d05 Ni6+ SOC_1s=0.000eV SOC_3d=0.148eV F0_1s3d=46.81294eV G2_1s3d=0.10521eV F0_3d3d=34.29836eV F2_3d3d=16.68019eV F4_3d3d=10.54992eV Z=28 1s01 3d06 Ni5+ SOC_1s=0.000eV SOC_3d=0.136eV F0_1s3d=45.22211eV G2_1s3d=0.09596eV F0_3d3d=32.87362eV F2_3d3d=15.81593eV F4_3d3d=9.96585eV Z=28 1s01 3d07 Ni4+ SOC_1s=0.000eV SOC_3d=0.125eV F0_1s3d=43.57627eV G2_1s3d=0.08737eV F0_3d3d=31.38269eV F2_3d3d=14.91107eV F4_3d3d=9.35592eV Z=28 1s01 3d08 Ni3+ SOC_1s=0.000eV SOC_3d=0.114eV F0_1s3d=41.85763eV G2_1s3d=0.07940eV F0_3d3d=29.80315eV F2_3d3d=13.95300eV F4_3d3d=8.71242eV Z=28 1s01 3d09 Ni2+ SOC_1s=0.000eV SOC_3d=0.104eV F0_1s3d=40.04082eV G2_1s3d=0.07200eV F0_3d3d=28.10123eV F2_3d3d=12.92352eV F4_3d3d=8.02448eV Z=28 2s02 3d00 Ni10+ SOC_2s=0.000eV Z=28 2s02 3d01 Ni9+ SOC_2s=0.000eV SOC_3d=0.156eV F0_2s3d=48.04463eV G2_2s3d=8.61131eV Z=28 2s02 3d02 Ni8+ SOC_2s=0.000eV SOC_3d=0.145eV F0_2s3d=46.65257eV G2_2s3d=7.97549eV F0_3d3d=35.57820eV F2_3d3d=17.66824eV F4_3d3d=11.25932eV Z=28 2s02 3d03 Ni7+ SOC_2s=0.000eV SOC_3d=0.133eV F0_2s3d=45.22455eV G2_2s3d=7.36214eV F0_3d3d=34.23820eV F2_3d3d=16.85948eV F4_3d3d=10.71096eV Z=28 2s02 3d04 Ni6+ SOC_2s=0.000eV SOC_3d=0.121eV F0_2s3d=43.75421eV G2_2s3d=6.77221eV F0_3d3d=32.85602eV F2_3d3d=16.02423eV F4_3d3d=10.14547eV Z=28 2s02 3d05 Ni5+ SOC_2s=0.000eV SOC_3d=0.111eV F0_2s3d=42.23214eV G2_2s3d=6.20635eV F0_3d3d=31.42032eV F2_3d3d=15.15577eV F4_3d3d=9.55860eV Z=28 2s02 3d06 Ni4+ SOC_2s=0.000eV SOC_3d=0.101eV F0_2s3d=40.64492eV G2_2s3d=5.66486eV F0_3d3d=29.91485eV F2_3d3d=14.24465eV F4_3d3d=8.94448eV Z=28 2s02 3d07 Ni3+ SOC_2s=0.000eV SOC_3d=0.091eV F0_2s3d=38.97319eV G2_2s3d=5.14783eV F0_3d3d=28.31557eV F2_3d3d=13.27731eV F4_3d3d=8.29478eV Z=28 2s02 3d08 Ni2+ SOC_2s=0.000eV SOC_3d=0.083eV F0_2s3d=37.18848eV G2_2s3d=4.65541eV F0_3d3d=26.58568eV F2_3d3d=12.23388eV F4_3d3d=7.59758eV Z=28 2s01 3d00 Ni11+ SOC_2s=0.000eV Z=28 2s01 3d01 Ni10+ SOC_2s=0.000eV SOC_3d=0.196eV F0_2s3d=50.95757eV G2_2s3d=10.01601eV Z=28 2s01 3d02 Ni9+ SOC_2s=0.000eV SOC_3d=0.183eV F0_2s3d=49.64272eV G2_2s3d=9.35896eV F0_3d3d=38.17776eV F2_3d3d=19.09480eV F4_3d3d=12.19938eV Z=28 2s01 3d03 Ni8+ SOC_2s=0.000eV SOC_3d=0.169eV F0_2s3d=48.30026eV G2_2s3d=8.72173eV F0_3d3d=36.90459eV F2_3d3d=18.32205eV F4_3d3d=11.67388eV Z=28 2s01 3d04 Ni7+ SOC_2s=0.000eV SOC_3d=0.156eV F0_2s3d=46.92558eV G2_2s3d=8.10532eV F0_3d3d=35.59954eV F2_3d3d=17.52880eV F4_3d3d=11.13506eV Z=28 2s01 3d05 Ni6+ SOC_2s=0.000eV SOC_3d=0.144eV F0_2s3d=45.51242eV G2_2s3d=7.51050eV F0_3d3d=34.25500eV F2_3d3d=16.71043eV F4_3d3d=10.57998eV Z=28 2s01 3d06 Ni5+ SOC_2s=0.000eV SOC_3d=0.133eV F0_2s3d=44.05238eV G2_2s3d=6.93789eV F0_3d3d=32.86058eV F2_3d3d=15.86075eV F4_3d3d=10.00475eV Z=28 2s01 3d07 Ni4+ SOC_2s=0.000eV SOC_3d=0.122eV F0_2s3d=42.53328eV G2_2s3d=6.38775eV F0_3d3d=31.40120eV F2_3d3d=14.97094eV F4_3d3d=9.40390eV Z=28 2s01 3d08 Ni3+ SOC_2s=0.000eV SOC_3d=0.111eV F0_2s3d=40.93832eV G2_2s3d=5.86034eV F0_3d3d=29.85524eV F2_3d3d=14.02870eV F4_3d3d=8.76986eV Z=28 2s01 3d09 Ni2+ SOC_2s=0.000eV SOC_3d=0.102eV F0_2s3d=39.24196eV G2_2s3d=5.35573eV F0_3d3d=28.18881eV F2_3d3d=13.01554eV F4_3d3d=8.09152eV Z=28 3s02 3d00 Ni10+ SOC_3s=0.000eV Z=28 3s02 3d01 Ni9+ SOC_3s=0.000eV SOC_3d=0.156eV F0_3s3d=36.22350eV G2_3s3d=16.19419eV Z=28 3s02 3d02 Ni8+ SOC_3s=0.000eV SOC_3d=0.145eV F0_3s3d=35.34317eV G2_3s3d=15.88747eV F0_3d3d=35.57820eV F2_3d3d=17.66824eV F4_3d3d=11.25932eV Z=28 3s02 3d03 Ni7+ SOC_3s=0.000eV SOC_3d=0.133eV F0_3s3d=34.44398eV G2_3s3d=15.53482eV F0_3d3d=34.23820eV F2_3d3d=16.85948eV F4_3d3d=10.71096eV Z=28 3s02 3d04 Ni6+ SOC_3s=0.000eV SOC_3d=0.121eV F0_3s3d=33.52282eV G2_3s3d=15.12758eV F0_3d3d=32.85602eV F2_3d3d=16.02423eV F4_3d3d=10.14547eV Z=28 3s02 3d05 Ni5+ SOC_3s=0.000eV SOC_3d=0.111eV F0_3s3d=32.57217eV G2_3s3d=14.65790eV F0_3d3d=31.42032eV F2_3d3d=15.15577eV F4_3d3d=9.55860eV Z=28 3s02 3d06 Ni4+ SOC_3s=0.000eV SOC_3d=0.101eV F0_3s3d=31.58112eV G2_3s3d=14.11558eV F0_3d3d=29.91485eV F2_3d3d=14.24465eV F4_3d3d=8.94448eV Z=28 3s02 3d07 Ni3+ SOC_3s=0.000eV SOC_3d=0.091eV F0_3s3d=30.53302eV G2_3s3d=13.48757eV F0_3d3d=28.31557eV F2_3d3d=13.27731eV F4_3d3d=8.29478eV Z=28 3s02 3d08 Ni2+ SOC_3s=0.000eV SOC_3d=0.083eV F0_3s3d=29.40121eV G2_3s3d=12.75819eV F0_3d3d=26.58568eV F2_3d3d=12.23388eV F4_3d3d=7.59758eV Z=28 3s01 3d00 Ni11+ SOC_3s=0.000eV Z=28 3s01 3d01 Ni10+ SOC_3s=0.000eV SOC_3d=0.168eV F0_3s3d=37.02883eV G2_3s3d=16.44332eV Z=28 3s01 3d02 Ni9+ SOC_3s=0.000eV SOC_3d=0.156eV F0_3s3d=36.17948eV G2_3s3d=16.17895eV F0_3d3d=36.78426eV F2_3d3d=18.39346eV F4_3d3d=11.75128eV Z=28 3s01 3d03 Ni8+ SOC_3s=0.000eV SOC_3d=0.144eV F0_3s3d=35.31929eV G2_3s3d=15.87569eV F0_3d3d=35.50842eV F2_3d3d=17.62366eV F4_3d3d=11.22864eV Z=28 3s01 3d04 Ni7+ SOC_3s=0.000eV SOC_3d=0.133eV F0_3s3d=34.44386eV G2_3s3d=15.52884eV F0_3d3d=34.20324eV F2_3d3d=16.83507eV F4_3d3d=10.69384eV Z=28 3s01 3d05 Ni6+ SOC_3s=0.000eV SOC_3d=0.122eV F0_3s3d=33.55082eV G2_3s3d=15.13121eV F0_3d3d=32.86257eV F2_3d3d=16.02383eV F4_3d3d=10.14444eV Z=28 3s01 3d06 Ni5+ SOC_3s=0.000eV SOC_3d=0.112eV F0_3s3d=32.63402eV G2_3s3d=14.67650eV F0_3d3d=31.47708eV F2_3d3d=15.18437eV F4_3d3d=9.57694eV Z=28 3s01 3d07 Ni4+ SOC_3s=0.000eV SOC_3d=0.102eV F0_3s3d=31.68471eV G2_3s3d=14.15660eV F0_3d3d=30.03349eV F2_3d3d=14.30892eV F4_3d3d=8.98652eV Z=28 3s01 3d08 Ni3+ SOC_3s=0.000eV SOC_3d=0.093eV F0_3s3d=30.68962eV G2_3s3d=13.56148eV F0_3d3d=28.51232eV F2_3d3d=13.38644eV F4_3d3d=8.36645eV Z=28 3s01 3d09 Ni2+ SOC_3s=0.000eV SOC_3d=0.085eV F0_3s3d=29.62761eV G2_3s3d=12.87951eV F0_3d3d=26.88381eV F2_3d3d=12.40076eV F4_3d3d=7.70709eV Z=28 2p06 3d00 Ni10+ SOC_2p=11.150eV Z=28 2p06 3d01 Ni9+ SOC_2p=11.132eV SOC_3d=0.156eV F0_2p3d=48.36834eV G1_2p3d=9.36246eV F2_2p3d=11.55531eV G3_2p3d=5.34986eV Z=28 2p06 3d02 Ni8+ SOC_2p=11.119eV SOC_3d=0.145eV F0_2p3d=46.94852eV G1_2p3d=8.67769eV F2_2p3d=10.87428eV G3_2p3d=4.95281eV F0_3d3d=35.57820eV F2_3d3d=17.66824eV F4_3d3d=11.25932eV Z=28 2p06 3d03 Ni7+ SOC_2p=11.110eV SOC_3d=0.133eV F0_2p3d=45.49455eV G1_2p3d=8.01572eV F2_2p3d=10.20112eV G3_2p3d=4.56997eV F0_3d3d=34.23820eV F2_3d3d=16.85948eV F4_3d3d=10.71096eV Z=28 2p06 3d04 Ni6+ SOC_2p=11.103eV SOC_3d=0.121eV F0_2p3d=43.99996eV G1_2p3d=7.37790eV F2_2p3d=9.53646eV G3_2p3d=4.20204eV F0_3d3d=32.85602eV F2_3d3d=16.02423eV F4_3d3d=10.14547eV Z=28 2p06 3d05 Ni5+ SOC_2p=11.100eV SOC_3d=0.111eV F0_2p3d=42.45526eV G1_2p3d=6.76501eV F2_2p3d=8.88044eV G3_2p3d=3.84938eV F0_3d3d=31.42032eV F2_3d3d=15.15577eV F4_3d3d=9.55860eV Z=28 2p06 3d06 Ni4+ SOC_2p=11.098eV SOC_3d=0.101eV F0_2p3d=40.84696eV G1_2p3d=6.17748eV F2_2p3d=8.23282eV G3_2p3d=3.51217eV F0_3d3d=29.91485eV F2_3d3d=14.24465eV F4_3d3d=8.94448eV Z=28 2p06 3d07 Ni3+ SOC_2p=11.099eV SOC_3d=0.091eV F0_2p3d=39.15559eV G1_2p3d=5.61555eV F2_2p3d=7.59298eV G3_2p3d=3.19044eV F0_3d3d=28.31557eV F2_3d3d=13.27731eV F4_3d3d=8.29478eV Z=28 2p06 3d08 Ni2+ SOC_2p=11.100eV SOC_3d=0.083eV F0_2p3d=37.35260eV G1_2p3d=5.07953eV F2_2p3d=6.96030eV G3_2p3d=2.88428eV F0_3d3d=26.58568eV F2_3d3d=12.23388eV F4_3d3d=7.59758eV Z=28 2p05 3d00 Ni11+ SOC_2p=11.581eV Z=28 2p05 3d01 Ni10+ SOC_2p=11.560eV SOC_3d=0.197eV F0_2p3d=51.42262eV G1_2p3d=10.80582eV F2_2p3d=12.95006eV G3_2p3d=6.18950eV Z=28 2p05 3d02 Ni9+ SOC_2p=11.542eV SOC_3d=0.184eV F0_2p3d=50.07099eV G1_2p3d=10.10089eV F2_2p3d=12.27058eV G3_2p3d=5.77906eV F0_3d3d=38.20818eV F2_3d3d=19.10153eV F4_3d3d=12.20171eV Z=28 2p05 3d03 Ni8+ SOC_2p=11.528eV SOC_3d=0.170eV F0_2p3d=48.69352eV G1_2p3d=9.41639eV F2_2p3d=11.59808eV G3_2p3d=5.38151eV F0_3d3d=36.93034eV F2_3d3d=18.32646eV F4_3d3d=11.67478eV Z=28 2p05 3d04 Ni7+ SOC_2p=11.518eV SOC_3d=0.157eV F0_2p3d=47.28553eV G1_2p3d=8.75344eV F2_2p3d=10.93306eV G3_2p3d=4.99743eV F0_3d3d=35.62058eV F2_3d3d=17.53090eV F4_3d3d=11.13454eV Z=28 2p05 3d05 Ni6+ SOC_2p=11.511eV SOC_3d=0.145eV F0_2p3d=45.84073eV G1_2p3d=8.11298eV F2_2p3d=10.27583eV G3_2p3d=4.62730eV F0_3d3d=34.27132eV F2_3d3d=16.71024eV F4_3d3d=10.57806eV Z=28 2p05 3d06 Ni5+ SOC_2p=11.507eV SOC_3d=0.133eV F0_2p3d=44.35057eV G1_2p3d=7.49572eV F2_2p3d=9.62646eV G3_2p3d=4.27146eV F0_3d3d=32.87209eV F2_3d3d=15.85823eV F4_3d3d=10.00143eV Z=28 2p05 3d07 Ni4+ SOC_2p=11.505eV SOC_3d=0.122eV F0_2p3d=42.80294eV G1_2p3d=6.90206eV F2_2p3d=8.98468eV G3_2p3d=3.93007eV F0_3d3d=31.40793eV F2_3d3d=14.96614eV F4_3d3d=9.39921eV Z=28 2p05 3d08 Ni3+ SOC_2p=11.506eV SOC_3d=0.112eV F0_2p3d=41.18054eV G1_2p3d=6.33224eV F2_2p3d=8.34987eV G3_2p3d=3.60318eV F0_3d3d=29.85685eV F2_3d3d=14.02150eV F4_3d3d=8.76375eV Z=28 2p05 3d09 Ni2+ SOC_2p=11.507eV SOC_3d=0.102eV F0_2p3d=39.45793eV G1_2p3d=5.78658eV F2_2p3d=7.72134eV G3_2p3d=3.29091eV F0_3d3d=28.18511eV F2_3d3d=13.00592eV F4_3d3d=8.08401eV Z=28 3p06 3d00 Ni10+ SOC_3p=1.825eV Z=28 3p06 3d01 Ni9+ SOC_3p=1.747eV SOC_3d=0.156eV F0_3p3d=35.95868eV G1_3p3d=20.92759eV F2_3p3d=17.72393eV G3_3p3d=13.31866eV Z=28 3p06 3d02 Ni8+ SOC_3p=1.671eV SOC_3d=0.145eV F0_3p3d=35.00505eV G1_3p3d=20.54085eV F2_3p3d=17.22696eV G3_3p3d=12.98241eV F0_3d3d=35.57820eV F2_3d3d=17.66824eV F4_3d3d=11.25932eV Z=28 3p06 3d03 Ni7+ SOC_3p=1.601eV SOC_3d=0.133eV F0_3p3d=34.03763eV G1_3p3d=20.10422eV F2_3p3d=16.70662eV G3_3p3d=12.61678eV F0_3d3d=34.23820eV F2_3d3d=16.85948eV F4_3d3d=10.71096eV Z=28 3p06 3d04 Ni6+ SOC_3p=1.537eV SOC_3d=0.121eV F0_3p3d=33.05184eV G1_3p3d=19.61196eV F2_3p3d=16.15977eV G3_3p3d=12.21880eV F0_3d3d=32.85602eV F2_3d3d=16.02423eV F4_3d3d=10.14547eV Z=28 3p06 3d05 Ni5+ SOC_3p=1.479eV SOC_3d=0.111eV F0_3p3d=32.04221eV G1_3p3d=19.05403eV F2_3p3d=15.58092eV G3_3p3d=11.78332eV F0_3d3d=31.42032eV F2_3d3d=15.15577eV F4_3d3d=9.55860eV Z=28 3p06 3d06 Ni4+ SOC_3p=1.428eV SOC_3d=0.101eV F0_3p3d=31.00047eV G1_3p3d=18.41694eV F2_3p3d=14.96249eV G3_3p3d=11.30356eV F0_3d3d=29.91485eV F2_3d3d=14.24465eV F4_3d3d=8.94448eV Z=28 3p06 3d07 Ni3+ SOC_3p=1.386eV SOC_3d=0.091eV F0_3p3d=29.91360eV G1_3p3d=17.68218eV F2_3p3d=14.29372eV G3_3p3d=10.77054eV F0_3d3d=28.31557eV F2_3d3d=13.27731eV F4_3d3d=8.29478eV Z=28 3p06 3d08 Ni2+ SOC_3p=1.353eV SOC_3d=0.083eV F0_3p3d=28.76010eV G1_3p3d=16.82442eV F2_3p3d=13.55914eV G3_3p3d=10.17248eV F0_3d3d=26.58568eV F2_3d3d=12.23388eV F4_3d3d=7.59758eV Z=28 3p05 3d00 Ni11+ SOC_3p=1.905eV Z=28 3p05 3d01 Ni10+ SOC_3p=1.824eV SOC_3d=0.168eV F0_3p3d=36.81803eV G1_3p3d=21.24863eV F2_3p3d=18.16193eV G3_3p3d=13.60613eV Z=28 3p05 3d02 Ni9+ SOC_3p=1.748eV SOC_3d=0.156eV F0_3p3d=35.88918eV G1_3p3d=20.90028eV F2_3p3d=17.68691eV G3_3p3d=13.29451eV F0_3d3d=36.75855eV F2_3d3d=18.37530eV F4_3d3d=11.73844eV Z=28 3p05 3d03 Ni8+ SOC_3p=1.673eV SOC_3d=0.144eV F0_3p3d=34.95006eV G1_3p3d=20.51459eV F2_3p3d=17.19569eV G3_3p3d=12.96054eV F0_3d3d=35.47137eV F2_3d3d=17.59904eV F4_3d3d=11.21153eV Z=28 3p05 3d04 Ni7+ SOC_3p=1.605eV SOC_3d=0.132eV F0_3p3d=33.99996eV G1_3p3d=20.08103eV F2_3p3d=16.68281eV G3_3p3d=12.59866eV F0_3d3d=34.15388eV F2_3d3d=16.80340eV F4_3d3d=10.67206eV Z=28 3p05 3d05 Ni6+ SOC_3p=1.543eV SOC_3d=0.121eV F0_3p3d=33.03496eV G1_3p3d=19.59459eV F2_3p3d=16.14563eV G3_3p3d=12.20639eV F0_3d3d=32.79932eV F2_3d3d=15.98422eV F4_3d3d=10.11741eV Z=28 3p05 3d06 Ni5+ SOC_3p=1.487eV SOC_3d=0.111eV F0_3p3d=32.05067eV G1_3p3d=19.04655eV F2_3p3d=15.57949eV G3_3p3d=11.77938eV F0_3d3d=31.39809eV F2_3d3d=15.13579eV F4_3d3d=9.54401eV Z=28 3p05 3d07 Ni4+ SOC_3p=1.438eV SOC_3d=0.101eV F0_3p3d=31.04055eV G1_3p3d=18.42554eV F2_3p3d=14.97819eV G3_3p3d=11.31216eV F0_3d3d=29.93669eV F2_3d3d=14.25024eV F4_3d3d=8.94701eV Z=28 3p05 3d08 Ni3+ SOC_3p=1.397eV SOC_3d=0.092eV F0_3p3d=29.99436eV G1_3p3d=17.71650eV F2_3p3d=14.33315eV G3_3p3d=10.79772eV F0_3d3d=28.39549eV F2_3d3d=13.31653eV F4_3d3d=8.31968eV Z=28 3p05 3d09 Ni2+ SOC_3p=1.366eV SOC_3d=0.084eV F0_3p3d=28.89529eV G1_3p3d=16.89964eV F2_3p3d=13.63247eV G3_3p3d=10.22737eV F0_3d3d=26.74491eV F2_3d3d=12.31876eV F4_3d3d=7.65262eV Z=29 1s02 3d00 Cu11+ SOC_1s=0.000eV Z=29 1s02 3d01 Cu10+ SOC_1s=0.000eV SOC_3d=0.200eV F0_1s3d=52.67089eV G2_1s3d=0.13617eV Z=29 1s02 3d02 Cu9+ SOC_1s=0.000eV SOC_3d=0.186eV F0_1s3d=51.20591eV G2_1s3d=0.12483eV F0_3d3d=38.18788eV F2_3d3d=19.04605eV F4_3d3d=12.15628eV Z=29 1s02 3d03 Cu8+ SOC_1s=0.000eV SOC_3d=0.172eV F0_1s3d=49.71768eV G2_1s3d=0.11428eV F0_3d3d=36.88586eV F2_3d3d=18.25924eV F4_3d3d=11.62214eV Z=29 1s02 3d04 Cu7+ SOC_1s=0.000eV SOC_3d=0.158eV F0_1s3d=48.20074eV G2_1s3d=0.10448eV F0_3d3d=35.55037eV F2_3d3d=17.45119eV F4_3d3d=11.07424eV Z=29 1s02 3d05 Cu6+ SOC_1s=0.000eV SOC_3d=0.146eV F0_1s3d=46.64965eV G2_1s3d=0.09539eV F0_3d3d=34.17434eV F2_3d3d=16.61755eV F4_3d3d=10.50982eV Z=29 1s02 3d06 Cu5+ SOC_1s=0.000eV SOC_3d=0.134eV F0_1s3d=45.05614eV G2_1s3d=0.08696eV F0_3d3d=32.74743eV F2_3d3d=15.75214eV F4_3d3d=9.92501eV Z=29 1s02 3d07 Cu4+ SOC_1s=0.000eV SOC_3d=0.123eV F0_1s3d=43.40684eV G2_1s3d=0.07914eV F0_3d3d=31.25366eV F2_3d3d=14.84579eV F4_3d3d=9.31414eV Z=29 1s02 3d08 Cu3+ SOC_1s=0.000eV SOC_3d=0.112eV F0_1s3d=41.68418eV G2_1s3d=0.07188eV F0_3d3d=29.67081eV F2_3d3d=13.88606eV F4_3d3d=8.66961eV Z=29 1s02 3d09 Cu2+ SOC_1s=0.000eV SOC_3d=0.102eV F0_1s3d=39.86334eV G2_1s3d=0.06514eV F0_3d3d=27.96557eV F2_3d3d=12.85504eV F4_3d3d=7.98077eV Z=29 1s01 3d00 Cu12+ SOC_1s=0.000eV Z=29 1s01 3d01 Cu11+ SOC_1s=0.000eV SOC_3d=0.254eV F0_1s3d=56.09948eV G2_1s3d=0.17006eV Z=29 1s01 3d02 Cu10+ SOC_1s=0.000eV SOC_3d=0.238eV F0_1s3d=54.66314eV G2_1s3d=0.15686eV F0_3d3d=40.87332eV F2_3d3d=20.46099eV F4_3d3d=13.07692eV Z=29 1s01 3d03 Cu9+ SOC_1s=0.000eV SOC_3d=0.221eV F0_1s3d=53.21055eV G2_1s3d=0.14456eV F0_3d3d=39.60374eV F2_3d3d=19.69275eV F4_3d3d=12.55480eV Z=29 1s01 3d04 Cu8+ SOC_1s=0.000eV SOC_3d=0.205eV F0_1s3d=51.73513eV G2_1s3d=0.13308eV F0_3d3d=38.30706eV F2_3d3d=18.90713eV F4_3d3d=12.02141eV Z=29 1s01 3d05 Cu7+ SOC_1s=0.000eV SOC_3d=0.190eV F0_1s3d=50.23294eV G2_1s3d=0.12238eV F0_3d3d=36.97815eV F2_3d3d=18.10094eV F4_3d3d=11.47471eV Z=29 1s01 3d06 Cu6+ SOC_1s=0.000eV SOC_3d=0.176eV F0_1s3d=48.69833eV G2_1s3d=0.11241eV F0_3d3d=35.60984eV F2_3d3d=17.26981eV F4_3d3d=10.91197eV Z=29 1s01 3d07 Cu5+ SOC_1s=0.000eV SOC_3d=0.162eV F0_1s3d=47.12321eV G2_1s3d=0.10314eV F0_3d3d=34.19198eV F2_3d3d=16.40776eV F4_3d3d=10.32944eV Z=29 1s01 3d08 Cu4+ SOC_1s=0.000eV SOC_3d=0.150eV F0_1s3d=45.49643eV G2_1s3d=0.09450eV F0_3d3d=32.71038eV F2_3d3d=15.50660eV F4_3d3d=9.72208eV Z=29 1s01 3d09 Cu3+ SOC_1s=0.000eV SOC_3d=0.138eV F0_1s3d=43.80223eV G2_1s3d=0.08646eV F0_3d3d=31.14441eV F2_3d3d=14.55477eV F4_3d3d=9.08287eV Z=29 2s02 3d00 Cu11+ SOC_2s=0.000eV Z=29 2s02 3d01 Cu10+ SOC_2s=0.000eV SOC_3d=0.200eV F0_2s3d=51.19988eV G2_2s3d=9.58302eV Z=29 2s02 3d02 Cu9+ SOC_2s=0.000eV SOC_3d=0.186eV F0_2s3d=49.84554eV G2_2s3d=8.93559eV F0_3d3d=38.18788eV F2_3d3d=19.04605eV F4_3d3d=12.15628eV Z=29 2s02 3d03 Cu8+ SOC_2s=0.000eV SOC_3d=0.172eV F0_2s3d=48.46254eV G2_2s3d=8.30919eV F0_3d3d=36.88586eV F2_3d3d=18.25924eV F4_3d3d=11.62214eV Z=29 2s02 3d04 Cu7+ SOC_2s=0.000eV SOC_3d=0.158eV F0_2s3d=47.04547eV G2_2s3d=7.70447eV F0_3d3d=35.55037eV F2_3d3d=17.45119eV F4_3d3d=11.07424eV Z=29 2s02 3d05 Cu6+ SOC_2s=0.000eV SOC_3d=0.146eV F0_2s3d=45.58886eV G2_2s3d=7.12258eV F0_3d3d=34.17434eV F2_3d3d=16.61755eV F4_3d3d=10.50982eV Z=29 2s02 3d06 Cu5+ SOC_2s=0.000eV SOC_3d=0.134eV F0_2s3d=44.08450eV G2_2s3d=6.56425eV F0_3d3d=32.74743eV F2_3d3d=15.75214eV F4_3d3d=9.92501eV Z=29 2s02 3d07 Cu4+ SOC_2s=0.000eV SOC_3d=0.123eV F0_2s3d=42.51925eV G2_2s3d=6.02934eV F0_3d3d=31.25366eV F2_3d3d=14.84579eV F4_3d3d=9.31414eV Z=29 2s02 3d08 Cu3+ SOC_2s=0.000eV SOC_3d=0.112eV F0_2s3d=40.87568eV G2_2s3d=5.51799eV F0_3d3d=29.67081eV F2_3d3d=13.88606eV F4_3d3d=8.66961eV Z=29 2s02 3d09 Cu2+ SOC_2s=0.000eV SOC_3d=0.102eV F0_2s3d=39.12908eV G2_2s3d=5.03067eV F0_3d3d=27.96557eV F2_3d3d=12.85504eV F4_3d3d=7.98077eV Z=29 2s01 3d00 Cu12+ SOC_2s=0.000eV Z=29 2s01 3d01 Cu11+ SOC_2s=0.000eV SOC_3d=0.246eV F0_2s3d=54.02888eV G2_2s3d=10.98808eV Z=29 2s01 3d02 Cu10+ SOC_2s=0.000eV SOC_3d=0.230eV F0_2s3d=52.74190eV G2_2s3d=10.32230eV F0_3d3d=40.71753eV F2_3d3d=20.43694eV F4_3d3d=13.07374eV Z=29 2s01 3d03 Cu9+ SOC_2s=0.000eV SOC_3d=0.214eV F0_2s3d=51.43323eV G2_2s3d=9.67550eV F0_3d3d=39.47276eV F2_3d3d=19.68082eV F4_3d3d=12.55906eV Z=29 2s01 3d04 Cu8+ SOC_2s=0.000eV SOC_3d=0.199eV F0_2s3d=50.09800eV G2_2s3d=9.04796eV F0_3d3d=38.20207eV F2_3d3d=18.90784eV F4_3d3d=12.03339eV Z=29 2s01 3d05 Cu7+ SOC_2s=0.000eV SOC_3d=0.185eV F0_2s3d=48.73140eV G2_2s3d=8.44038eV F0_3d3d=36.89968eV F2_3d3d=18.11449eV F4_3d3d=11.49452eV Z=29 2s01 3d06 Cu6+ SOC_2s=0.000eV SOC_3d=0.171eV F0_2s3d=47.32815eV G2_2s3d=7.85375eV F0_3d3d=35.55876eV F2_3d3d=17.29658eV F4_3d3d=10.93981eV Z=29 2s01 3d07 Cu5+ SOC_2s=0.000eV SOC_3d=0.158eV F0_2s3d=45.88039eV G2_2s3d=7.28862eV F0_3d3d=34.16939eV F2_3d3d=16.44820eV F4_3d3d=10.36555eV Z=29 2s01 3d08 Cu4+ SOC_2s=0.000eV SOC_3d=0.146eV F0_2s3d=44.37721eV G2_2s3d=6.74532eV F0_3d3d=32.71756eV F2_3d3d=15.56121eV F4_3d3d=9.76672eV Z=29 2s01 3d09 Cu3+ SOC_2s=0.000eV SOC_3d=0.135eV F0_2s3d=42.80306eV G2_2s3d=6.22409eV F0_3d3d=31.18284eV F2_3d3d=14.62407eV F4_3d3d=9.13626eV Z=29 3s02 3d00 Cu11+ SOC_3s=0.000eV Z=29 3s02 3d01 Cu10+ SOC_3s=0.000eV SOC_3d=0.200eV F0_3s3d=38.40691eV G2_3s3d=17.02034eV Z=29 3s02 3d02 Cu9+ SOC_3s=0.000eV SOC_3d=0.186eV F0_3s3d=37.54591eV G2_3s3d=16.74968eV F0_3d3d=38.18788eV F2_3d3d=19.04605eV F4_3d3d=12.15628eV Z=29 3s02 3d03 Cu8+ SOC_3s=0.000eV SOC_3d=0.172eV F0_3s3d=36.67176eV G2_3s3d=16.43887eV F0_3d3d=36.88586eV F2_3d3d=18.25924eV F4_3d3d=11.62214eV Z=29 3s02 3d04 Cu7+ SOC_3s=0.000eV SOC_3d=0.158eV F0_3s3d=35.78082eV G2_3s3d=16.08272eV F0_3d3d=35.55037eV F2_3d3d=17.45119eV F4_3d3d=11.07424eV Z=29 3s02 3d05 Cu6+ SOC_3s=0.000eV SOC_3d=0.146eV F0_3s3d=34.86896eV G2_3s3d=15.67518eV F0_3d3d=34.17434eV F2_3d3d=16.61755eV F4_3d3d=10.50982eV Z=29 3s02 3d06 Cu5+ SOC_3s=0.000eV SOC_3d=0.134eV F0_3s3d=33.92982eV G2_3s3d=15.20888eV F0_3d3d=32.74743eV F2_3d3d=15.75214eV F4_3d3d=9.92501eV Z=29 3s02 3d07 Cu4+ SOC_3s=0.000eV SOC_3d=0.123eV F0_3s3d=32.95307eV G2_3s3d=14.67429eV F0_3d3d=31.25366eV F2_3d3d=14.84579eV F4_3d3d=9.31414eV Z=29 3s02 3d08 Cu3+ SOC_3s=0.000eV SOC_3d=0.112eV F0_3s3d=31.92357eV G2_3s3d=14.05997eV F0_3d3d=29.67081eV F2_3d3d=13.88606eV F4_3d3d=8.66961eV Z=29 3s02 3d09 Cu2+ SOC_3s=0.000eV SOC_3d=0.102eV F0_3s3d=30.81756eV G2_3s3d=13.35274eV F0_3d3d=27.96557eV F2_3d3d=12.85504eV F4_3d3d=7.98077eV Z=29 3s01 3d00 Cu12+ SOC_3s=0.000eV Z=29 3s01 3d01 Cu11+ SOC_3s=0.000eV SOC_3d=0.213eV F0_3s3d=39.18322eV G2_3s3d=17.23896eV Z=29 3s01 3d02 Cu10+ SOC_3s=0.000eV SOC_3d=0.199eV F0_3s3d=38.34802eV G2_3s3d=17.00419eV F0_3d3d=39.34081eV F2_3d3d=19.74067eV F4_3d3d=12.62807eV Z=29 3s01 3d03 Cu9+ SOC_3s=0.000eV SOC_3d=0.185eV F0_3s3d=37.50416eV G2_3s3d=16.73495eV F0_3d3d=38.09089eV F2_3d3d=18.98581eV F4_3d3d=12.11508eV Z=29 3s01 3d04 Cu8+ SOC_3s=0.000eV SOC_3d=0.171eV F0_3s3d=36.64965eV G2_3s3d=16.42741eV F0_3d3d=36.81768eV F2_3d3d=18.21574eV F4_3d3d=11.59223eV Z=29 3s01 3d05 Cu7+ SOC_3s=0.000eV SOC_3d=0.158eV F0_3s3d=35.78159eV G2_3s3d=16.07709eV F0_3d3d=35.51598eV F2_3d3d=17.42730eV F4_3d3d=11.05752eV Z=29 3s01 3d06 Cu6+ SOC_3s=0.000eV SOC_3d=0.146eV F0_3s3d=34.89639eV G2_3s3d=15.67884eV F0_3d3d=34.17959eV F2_3d3d=16.61667eV F4_3d3d=10.50853eV Z=29 3s01 3d07 Cu5+ SOC_3s=0.000eV SOC_3d=0.134eV F0_3s3d=33.98912eV G2_3s3d=15.22662eV F0_3d3d=32.80025eV F2_3d3d=15.77884eV F4_3d3d=9.94215eV Z=29 3s01 3d08 Cu4+ SOC_3s=0.000eV SOC_3d=0.124eV F0_3s3d=33.05126eV G2_3s3d=14.71278eV F0_3d3d=31.36465eV F2_3d3d=14.90616eV F4_3d3d=9.35367eV Z=29 3s01 3d09 Cu3+ SOC_3s=0.000eV SOC_3d=0.114eV F0_3s3d=32.07062eV G2_3s3d=14.12842eV F0_3d3d=29.85454eV F2_3d3d=13.98834eV F4_3d3d=8.73683eV Z=29 2p06 3d00 Cu11+ SOC_2p=13.111eV Z=29 2p06 3d01 Cu10+ SOC_2p=13.089eV SOC_3d=0.200eV F0_2p3d=51.57091eV G1_2p3d=10.38818eV F2_2p3d=12.63648eV G3_2p3d=5.94134eV Z=29 2p06 3d02 Cu9+ SOC_2p=13.072eV SOC_3d=0.186eV F0_2p3d=50.18719eV G1_2p3d=9.69280eV F2_2p3d=11.95640eV G3_2p3d=5.53739eV F0_3d3d=38.18788eV F2_3d3d=19.04605eV F4_3d3d=12.15628eV Z=29 2p06 3d03 Cu8+ SOC_2p=13.058eV SOC_3d=0.172eV F0_2p3d=48.77658eV G1_2p3d=9.01891eV F2_2p3d=11.28413eV G3_2p3d=5.14686eV F0_3d3d=36.88586eV F2_3d3d=18.25924eV F4_3d3d=11.62214eV Z=29 2p06 3d04 Cu7+ SOC_2p=13.049eV SOC_3d=0.158eV F0_2p3d=47.33359eV G1_2p3d=8.36724eV F2_2p3d=10.61989eV G3_2p3d=4.77014eV F0_3d3d=35.55037eV F2_3d3d=17.45119eV F4_3d3d=11.07424eV Z=29 2p06 3d05 Cu6+ SOC_2p=13.042eV SOC_3d=0.146eV F0_2p3d=45.85271eV G1_2p3d=7.73919eV F2_2p3d=9.96448eV G3_2p3d=4.40795eV F0_3d3d=34.17434eV F2_3d3d=16.61755eV F4_3d3d=10.50982eV Z=29 2p06 3d06 Cu5+ SOC_2p=13.038eV SOC_3d=0.134eV F0_2p3d=44.32565eV G1_2p3d=7.13565eV F2_2p3d=9.31822eV G3_2p3d=4.06072eV F0_3d3d=32.74743eV F2_3d3d=15.75214eV F4_3d3d=9.92501eV Z=29 2p06 3d07 Cu4+ SOC_2p=13.037eV SOC_3d=0.123eV F0_2p3d=42.73917eV G1_2p3d=6.55653eV F2_2p3d=8.68052eV G3_2p3d=3.72835eV F0_3d3d=31.25366eV F2_3d3d=14.84579eV F4_3d3d=9.31414eV Z=29 2p06 3d08 Cu3+ SOC_2p=13.037eV SOC_3d=0.112eV F0_2p3d=41.07578eV G1_2p3d=6.00209eV F2_2p3d=8.05094eV G3_2p3d=3.41088eV F0_3d3d=29.67081eV F2_3d3d=13.88606eV F4_3d3d=8.66961eV Z=29 2p06 3d09 Cu2+ SOC_2p=13.039eV SOC_3d=0.102eV F0_2p3d=39.31069eV G1_2p3d=5.47298eV F2_2p3d=7.42935eV G3_2p3d=3.10861eV F0_3d3d=27.96557eV F2_3d3d=12.85504eV F4_3d3d=7.98077eV Z=29 2p05 3d00 Cu12+ SOC_2p=13.600eV Z=29 2p05 3d01 Cu11+ SOC_2p=13.573eV SOC_3d=0.248eV F0_2p3d=54.55078eV G1_2p3d=11.83040eV F2_2p3d=14.01521eV G3_2p3d=6.78152eV Z=29 2p05 3d02 Cu10+ SOC_2p=13.551eV SOC_3d=0.232eV F0_2p3d=53.22625eV G1_2p3d=11.11762eV F2_2p3d=13.33701eV G3_2p3d=6.36583eV F0_3d3d=40.75379eV F2_3d3d=20.44645eV F4_3d3d=13.07777eV Z=29 2p05 3d03 Cu9+ SOC_2p=13.532eV SOC_3d=0.216eV F0_2p3d=51.88039eV G1_2p3d=10.42376eV F2_2p3d=12.66542eV G3_2p3d=5.96214eV F0_3d3d=39.50377eV F2_3d3d=19.68771eV F4_3d3d=12.56147eV Z=29 2p05 3d04 Cu8+ SOC_2p=13.519eV SOC_3d=0.201eV F0_2p3d=50.51095eV G1_2p3d=9.75059eV F2_2p3d=12.00154eV G3_2p3d=5.57139eV F0_3d3d=38.22883eV F2_3d3d=18.91262eV F4_3d3d=12.03451eV Z=29 2p05 3d05 Cu7+ SOC_2p=13.508eV SOC_3d=0.186eV F0_2p3d=49.11167eV G1_2p3d=9.09804eV F2_2p3d=11.34495eV G3_2p3d=5.19352eV F0_3d3d=36.92209eV F2_3d3d=18.11713eV F4_3d3d=11.49433eV Z=29 2p05 3d06 Cu6+ SOC_2p=13.501eV SOC_3d=0.172eV F0_2p3d=47.67715eV G1_2p3d=8.46726eV F2_2p3d=10.69618eV G3_2p3d=4.82913eV F0_3d3d=35.57666eV F2_3d3d=17.29702eV F4_3d3d=10.93828eV Z=29 2p05 3d07 Cu5+ SOC_2p=13.497eV SOC_3d=0.159eV F0_2p3d=46.19956eV G1_2p3d=7.85895eV F2_2p3d=10.05540eV G3_2p3d=4.47854eV F0_3d3d=34.18268eV F2_3d3d=16.44642eV F4_3d3d=10.36268eV Z=29 2p05 3d08 Cu4+ SOC_2p=13.496eV SOC_3d=0.147eV F0_2p3d=44.66794eV G1_2p3d=7.27360eV F2_2p3d=9.42246eV G3_2p3d=4.14198eV F0_3d3d=32.72614eV F2_3d3d=15.55718eV F4_3d3d=9.76250eV Z=29 2p05 3d09 Cu3+ SOC_2p=13.496eV SOC_3d=0.135eV F0_2p3d=43.06664eV G1_2p3d=6.71152eV F2_2p3d=8.79699eV G3_2p3d=3.81955eV F0_3d3d=31.18658eV F2_3d3d=14.61777eV F4_3d3d=9.13070eV Z=29 3p06 3d00 Cu11+ SOC_3p=2.216eV Z=29 3p06 3d01 Cu10+ SOC_3p=2.125eV SOC_3d=0.200eV F0_3p3d=38.21790eV G1_3p3d=22.04162eV F2_3p3d=18.82012eV G3_3p3d=14.09307eV Z=29 3p06 3d02 Cu9+ SOC_3p=2.038eV SOC_3d=0.186eV F0_3p3d=37.28280eV G1_3p3d=21.68737eV F2_3p3d=18.34017eV G3_3p3d=13.77697eV F0_3d3d=38.18788eV F2_3d3d=19.04605eV F4_3d3d=12.15628eV Z=29 3p06 3d03 Cu8+ SOC_3p=1.957eV SOC_3d=0.172eV F0_3p3d=36.33678eV G1_3p3d=21.29270eV F2_3p3d=17.84185eV G3_3p3d=13.43678eV F0_3d3d=36.88586eV F2_3d3d=18.25924eV F4_3d3d=11.62214eV Z=29 3p06 3d04 Cu7+ SOC_3p=1.882eV SOC_3d=0.158eV F0_3p3d=35.37751eV G1_3p3d=20.85072eV F2_3p3d=17.32151eV G3_3p3d=13.06886eV F0_3d3d=35.55037eV F2_3d3d=17.45119eV F4_3d3d=11.07424eV Z=29 3p06 3d05 Cu6+ SOC_3p=1.812eV SOC_3d=0.146eV F0_3p3d=34.40109eV G1_3p3d=20.35602eV F2_3p3d=16.77630eV G3_3p3d=12.67048eV F0_3d3d=34.17434eV F2_3d3d=16.61755eV F4_3d3d=10.50982eV Z=29 3p06 3d06 Cu5+ SOC_3p=1.748eV SOC_3d=0.134eV F0_3p3d=33.40237eV G1_3p3d=19.80038eV F2_3p3d=16.20174eV G3_3p3d=12.23754eV F0_3d3d=32.74743eV F2_3d3d=15.75214eV F4_3d3d=9.92501eV Z=29 3p06 3d07 Cu4+ SOC_3p=1.692eV SOC_3d=0.123eV F0_3p3d=32.37417eV G1_3p3d=19.16970eV F2_3p3d=15.58999eV G3_3p3d=11.76299eV F0_3d3d=31.25366eV F2_3d3d=14.84579eV F4_3d3d=9.31414eV Z=29 3p06 3d08 Cu3+ SOC_3p=1.645eV SOC_3d=0.112eV F0_3p3d=31.30482eV G1_3p3d=18.44728eV F2_3p3d=14.93137eV G3_3p3d=11.23885eV F0_3d3d=29.67081eV F2_3d3d=13.88606eV F4_3d3d=8.66961eV Z=29 3p06 3d09 Cu2+ SOC_3p=1.610eV SOC_3d=0.102eV F0_3p3d=30.17515eV G1_3p3d=17.61156eV F2_3p3d=14.21276eV G3_3p3d=10.65542eV F0_3d3d=27.96557eV F2_3d3d=12.85504eV F4_3d3d=7.98077eV Z=29 3p05 3d00 Cu12+ SOC_3p=2.309eV Z=29 3p05 3d01 Cu11+ SOC_3p=2.215eV SOC_3d=0.214eV F0_3p3d=39.05463eV G1_3p3d=22.33353eV F2_3p3d=19.23978eV G3_3p3d=14.36162eV Z=29 3p05 3d02 Cu10+ SOC_3p=2.125eV SOC_3d=0.199eV F0_3p3d=38.13917eV G1_3p3d=22.01427eV F2_3p3d=18.77958eV G3_3p3d=14.06787eV F0_3d3d=39.32539eV F2_3d3d=19.72831eV F4_3d3d=12.61908eV Z=29 3p05 3d03 Cu9+ SOC_3p=2.040eV SOC_3d=0.185eV F0_3p3d=37.21635eV G1_3p3d=21.66019eV F2_3p3d=18.30432eV G3_3p3d=13.75326eV F0_3d3d=38.06593eV F2_3d3d=18.96798eV F4_3d3d=12.10245eV Z=29 3p05 3d04 Cu8+ SOC_3p=1.960eV SOC_3d=0.171eV F0_3p3d=36.28464eV G1_3p3d=21.26693eV F2_3p3d=17.81182eV G3_3p3d=13.41553eV F0_3d3d=36.78217eV F2_3d3d=18.19185eV F4_3d3d=11.57559eV Z=29 3p05 3d05 Cu7+ SOC_3p=1.886eV SOC_3d=0.158eV F0_3p3d=35.34220eV G1_3p3d=20.82840eV F2_3p3d=17.29897eV G3_3p3d=13.05153eV F0_3d3d=35.46875eV F2_3d3d=17.39668eV F4_3d3d=11.03642eV Z=29 3p05 3d06 Cu6+ SOC_3p=1.819eV SOC_3d=0.145eV F0_3p3d=34.38586eV G1_3p3d=20.33924eV F2_3p3d=16.76300eV G3_3p3d=12.65864eV F0_3d3d=34.11933eV F2_3d3d=16.57857eV F4_3d3d=10.48249eV Z=29 3p05 3d07 Cu5+ SOC_3p=1.757eV SOC_3d=0.134eV F0_3p3d=33.41126eV G1_3p3d=19.79303eV F2_3p3d=16.20056eV G3_3p3d=12.23380eV F0_3d3d=32.72529eV F2_3d3d=15.73234eV F4_3d3d=9.91060eV Z=29 3p05 3d08 Cu4+ SOC_3p=1.702eV SOC_3d=0.123eV F0_3p3d=32.41284eV G1_3p3d=19.17745eV F2_3p3d=15.60494eV G3_3p3d=11.77104eV F0_3d3d=31.27321eV F2_3d3d=14.85029eV F4_3d3d=9.31599eV Z=29 3p05 3d09 Cu3+ SOC_3p=1.658eV SOC_3d=0.113eV F0_3p3d=31.38125eV G1_3p3d=18.47892eV F2_3p3d=14.96846eV G3_3p3d=11.26419eV F0_3d3d=29.74471eV F2_3d3d=13.92213eV F4_3d3d=8.69248eV Z=30 1s02 3d00 Zn12+ SOC_1s=0.000eV Z=30 1s02 3d01 Zn11+ SOC_1s=0.000eV SOC_3d=0.251eV F0_1s3d=55.95367eV G2_1s3d=0.15516eV Z=30 1s02 3d02 Zn10+ SOC_1s=0.000eV SOC_3d=0.235eV F0_1s3d=54.51694eV G2_1s3d=0.14307eV F0_3d3d=40.76182eV F2_3d3d=20.40456eV F4_3d3d=13.04078eV Z=30 1s02 3d03 Zn9+ SOC_1s=0.000eV SOC_3d=0.218eV F0_1s3d=53.06155eV G2_1s3d=0.13179eV F0_3d3d=39.49025eV F2_3d3d=19.63536eV F4_3d3d=12.51805eV Z=30 1s02 3d04 Zn8+ SOC_1s=0.000eV SOC_3d=0.202eV F0_1s3d=51.58373eV G2_1s3d=0.12128eV F0_3d3d=38.19183eV F2_3d3d=18.84887eV F4_3d3d=11.98410eV Z=30 1s02 3d05 Zn7+ SOC_1s=0.000eV SOC_3d=0.188eV F0_1s3d=50.07920eV G2_1s3d=0.11148eV F0_3d3d=36.86116eV F2_3d3d=18.04176eV F4_3d3d=11.43682eV Z=30 1s02 3d06 Zn6+ SOC_1s=0.000eV SOC_3d=0.173eV F0_1s3d=48.54194eV G2_1s3d=0.10235eV F0_3d3d=35.49079eV F2_3d3d=17.20957eV F4_3d3d=10.87339eV Z=30 1s02 3d07 Zn5+ SOC_1s=0.000eV SOC_3d=0.160eV F0_1s3d=46.96384eV G2_1s3d=0.09386eV F0_3d3d=34.07056eV F2_3d3d=16.34628eV F4_3d3d=10.29007eV Z=30 1s02 3d08 Zn4+ SOC_1s=0.000eV SOC_3d=0.148eV F0_1s3d=45.33373eV G2_1s3d=0.08596eV F0_3d3d=32.58624eV F2_3d3d=15.44371eV F4_3d3d=9.68182eV Z=30 1s02 3d09 Zn3+ SOC_1s=0.000eV SOC_3d=0.136eV F0_1s3d=43.63577eV G2_1s3d=0.07861eV F0_3d3d=31.01718eV F2_3d3d=14.49034eV F4_3d3d=9.04166eV Z=30 1s01 3d00 Zn13+ SOC_1s=0.000eV Z=30 1s01 3d01 Zn12+ SOC_1s=0.000eV SOC_3d=0.314eV F0_1s3d=59.34739eV G2_1s3d=0.19088eV Z=30 1s01 3d02 Zn11+ SOC_1s=0.000eV SOC_3d=0.296eV F0_1s3d=57.93526eV G2_1s3d=0.17695eV F0_3d3d=43.41571eV F2_3d3d=21.80266eV F4_3d3d=13.95057eV Z=30 1s01 3d03 Zn10+ SOC_1s=0.000eV SOC_3d=0.276eV F0_1s3d=56.50753eV G2_1s3d=0.16391eV F0_3d3d=42.16950eV F2_3d3d=21.04806eV F4_3d3d=13.43730eV Z=30 1s01 3d04 Zn9+ SOC_1s=0.000eV SOC_3d=0.258eV F0_1s3d=55.06155eV G2_1s3d=0.15169eV F0_3d3d=40.90107eV F2_3d3d=20.27903eV F4_3d3d=12.91466eV Z=30 1s01 3d05 Zn8+ SOC_1s=0.000eV SOC_3d=0.240eV F0_1s3d=53.59549eV G2_1s3d=0.14028eV F0_3d3d=39.60735eV F2_3d3d=19.49349eV F4_3d3d=12.38131eV Z=30 1s01 3d06 Zn7+ SOC_1s=0.000eV SOC_3d=0.223eV F0_1s3d=52.10434eV G2_1s3d=0.12962eV F0_3d3d=38.28239eV F2_3d3d=18.68790eV F4_3d3d=11.83503eV Z=30 1s01 3d07 Zn6+ SOC_1s=0.000eV SOC_3d=0.208eV F0_1s3d=50.58169eV G2_1s3d=0.11965eV F0_3d3d=36.91851eV F2_3d3d=17.85772eV F4_3d3d=11.27297eV Z=30 1s01 3d08 Zn5+ SOC_1s=0.000eV SOC_3d=0.193eV F0_1s3d=49.02059eV G2_1s3d=0.11035eV F0_3d3d=35.50647eV F2_3d3d=16.99745eV F4_3d3d=10.69172eV Z=30 1s01 3d09 Zn4+ SOC_1s=0.000eV SOC_3d=0.178eV F0_1s3d=47.41082eV G2_1s3d=0.10167eV F0_3d3d=34.03288eV F2_3d3d=16.09942eV F4_3d3d=10.08657eV Z=30 2s02 3d00 Zn12+ SOC_2s=0.000eV Z=30 2s02 3d01 Zn11+ SOC_2s=0.000eV SOC_3d=0.251eV F0_2s3d=54.31561eV G2_2s3d=10.55366eV Z=30 2s02 3d02 Zn10+ SOC_2s=0.000eV SOC_3d=0.235eV F0_2s3d=52.99306eV G2_2s3d=9.89669eV F0_3d3d=40.76182eV F2_3d3d=20.40456eV F4_3d3d=13.04078eV Z=30 2s02 3d03 Zn9+ SOC_2s=0.000eV SOC_3d=0.218eV F0_2s3d=51.64665eV G2_2s3d=9.25923eV F0_3d3d=39.49025eV F2_3d3d=19.63536eV F4_3d3d=12.51805eV Z=30 2s02 3d04 Zn8+ SOC_2s=0.000eV SOC_3d=0.202eV F0_2s3d=50.27264eV G2_2s3d=8.64200eV F0_3d3d=38.19183eV F2_3d3d=18.84887eV F4_3d3d=11.98410eV Z=30 2s02 3d05 Zn7+ SOC_2s=0.000eV SOC_3d=0.188eV F0_2s3d=48.86673eV G2_2s3d=8.04599eV F0_3d3d=36.86116eV F2_3d3d=18.04176eV F4_3d3d=11.43682eV Z=30 2s02 3d06 Zn6+ SOC_2s=0.000eV SOC_3d=0.173eV F0_2s3d=47.42297eV G2_2s3d=7.47188eV F0_3d3d=35.49079eV F2_3d3d=17.20957eV F4_3d3d=10.87339eV Z=30 2s02 3d07 Zn5+ SOC_2s=0.000eV SOC_3d=0.160eV F0_2s3d=45.93332eV G2_2s3d=6.92015eV F0_3d3d=34.07056eV F2_3d3d=16.34628eV F4_3d3d=10.29007eV Z=30 2s02 3d08 Zn4+ SOC_2s=0.000eV SOC_3d=0.148eV F0_2s3d=44.38673eV G2_2s3d=6.39115eV F0_3d3d=32.58624eV F2_3d3d=15.44371eV F4_3d3d=9.68182eV Z=30 2s02 3d09 Zn3+ SOC_2s=0.000eV SOC_3d=0.136eV F0_2s3d=42.76748eV G2_2s3d=5.88507eV F0_3d3d=31.01718eV F2_3d3d=14.49034eV F4_3d3d=9.04166eV Z=30 2s01 3d00 Zn13+ SOC_2s=0.000eV Z=30 2s01 3d01 Zn12+ SOC_2s=0.000eV SOC_3d=0.304eV F0_2s3d=57.07512eV G2_2s3d=11.95907eV Z=30 2s01 3d02 Zn11+ SOC_2s=0.000eV SOC_3d=0.286eV F0_2s3d=55.81304eV G2_2s3d=11.28647eV F0_3d3d=43.23501eV F2_3d3d=21.76667eV F4_3d3d=13.94002eV Z=30 2s01 3d03 Zn10+ SOC_2s=0.000eV SOC_3d=0.268eV F0_2s3d=54.53115eV G2_2s3d=10.63076eV F0_3d3d=42.01250eV F2_3d3d=21.02370eV F4_3d3d=13.43389eV Z=30 2s01 3d04 Zn9+ SOC_2s=0.000eV SOC_3d=0.250eV F0_2s3d=53.22664eV G2_2s3d=9.99280eV F0_3d3d=40.76824eV F2_3d3d=20.26645eV F4_3d3d=12.91847eV Z=30 2s01 3d05 Zn8+ SOC_2s=0.000eV SOC_3d=0.233eV F0_2s3d=51.89619eV G2_2s3d=9.37349eV F0_3d3d=39.49813eV F2_3d3d=19.49240eV F4_3d3d=12.39213eV Z=30 2s01 3d06 Zn7+ SOC_2s=0.000eV SOC_3d=0.217eV F0_2s3d=50.53732eV G2_2s3d=8.77443eV F0_3d3d=38.19824eV F2_3d3d=18.69895eV F4_3d3d=11.85323eV Z=30 2s01 3d07 Zn6+ SOC_2s=0.000eV SOC_3d=0.202eV F0_2s3d=49.14339eV G2_2s3d=8.19567eV F0_3d3d=36.86064eV F2_3d3d=17.88143eV F4_3d3d=11.29885eV Z=30 2s01 3d08 Zn5+ SOC_2s=0.000eV SOC_3d=0.188eV F0_2s3d=47.70654eV G2_2s3d=7.63749eV F0_3d3d=35.47542eV F2_3d3d=17.03402eV F4_3d3d=10.72536eV Z=30 2s01 3d09 Zn4+ SOC_2s=0.000eV SOC_3d=0.174eV F0_2s3d=46.21721eV G2_2s3d=7.10050eV F0_3d3d=34.02976eV F2_3d3d=16.14925eV F4_3d3d=10.12817eV Z=30 3s02 3d00 Zn12+ SOC_3s=0.000eV Z=30 3s02 3d01 Zn11+ SOC_3s=0.000eV SOC_3d=0.251eV F0_3s3d=40.57162eV G2_3s3d=17.82128eV Z=30 3s02 3d02 Zn10+ SOC_3s=0.000eV SOC_3d=0.235eV F0_3s3d=39.72622eV G2_3s3d=17.58004eV F0_3d3d=40.76182eV F2_3d3d=20.40456eV F4_3d3d=13.04078eV Z=30 3s02 3d03 Zn9+ SOC_3s=0.000eV SOC_3d=0.218eV F0_3s3d=38.87033eV G2_3s3d=17.30452eV F0_3d3d=39.49025eV F2_3d3d=19.63536eV F4_3d3d=12.51805eV Z=30 3s02 3d04 Zn8+ SOC_3s=0.000eV SOC_3d=0.202eV F0_3s3d=38.00250eV G2_3s3d=16.98937eV F0_3d3d=38.19183eV F2_3d3d=18.84887eV F4_3d3d=11.98410eV Z=30 3s02 3d05 Zn7+ SOC_3s=0.000eV SOC_3d=0.188eV F0_3s3d=37.11905eV G2_3s3d=16.63071eV F0_3d3d=36.86116eV F2_3d3d=18.04176eV F4_3d3d=11.43682eV Z=30 3s02 3d06 Zn6+ SOC_3s=0.000eV SOC_3d=0.173eV F0_3s3d=36.21566eV G2_3s3d=16.22289eV F0_3d3d=35.49079eV F2_3d3d=17.20957eV F4_3d3d=10.87339eV Z=30 3s02 3d07 Zn5+ SOC_3s=0.000eV SOC_3d=0.160eV F0_3s3d=35.28615eV G2_3s3d=15.75909eV F0_3d3d=34.07056eV F2_3d3d=16.34628eV F4_3d3d=10.29007eV Z=30 3s02 3d08 Zn4+ SOC_3s=0.000eV SOC_3d=0.148eV F0_3s3d=34.32142eV G2_3s3d=15.23101eV F0_3d3d=32.58624eV F2_3d3d=15.44371eV F4_3d3d=9.68182eV Z=30 3s02 3d09 Zn3+ SOC_3s=0.000eV SOC_3d=0.136eV F0_3s3d=33.30765eV G2_3s3d=14.62854eV F0_3d3d=31.01718eV F2_3d3d=14.49034eV F4_3d3d=9.04166eV Z=30 3s01 3d00 Zn13+ SOC_3s=0.000eV Z=30 3s01 3d01 Zn12+ SOC_3s=0.000eV SOC_3d=0.267eV F0_3s3d=41.32307eV G2_3s3d=18.01708eV Z=30 3s01 3d02 Zn11+ SOC_3s=0.000eV SOC_3d=0.250eV F0_3s3d=40.50107eV G2_3s3d=17.80496eV F0_3d3d=41.87129eV F2_3d3d=21.07411eV F4_3d3d=13.49604eV Z=30 3s01 3d03 Zn10+ SOC_3s=0.000eV SOC_3d=0.233eV F0_3s3d=39.67008eV G2_3s3d=17.56438eV F0_3d3d=40.64333eV F2_3d3d=20.33184eV F4_3d3d=12.99118eV Z=30 3s01 3d04 Zn9+ SOC_3s=0.000eV SOC_3d=0.217eV F0_3s3d=38.83096eV G2_3s3d=17.29021eV F0_3d3d=39.39594eV F2_3d3d=19.57674eV F4_3d3d=12.47799eV Z=30 3s01 3d05 Zn8+ SOC_3s=0.000eV SOC_3d=0.202eV F0_3s3d=37.98213eV G2_3s3d=16.97842eV F0_3d3d=38.12548eV F2_3d3d=18.80655eV F4_3d3d=11.95503eV Z=30 3s01 3d06 Zn7+ SOC_3s=0.000eV SOC_3d=0.187eV F0_3s3d=37.12057eV G2_3s3d=16.62549eV F0_3d3d=36.82727eV F2_3d3d=18.01836eV F4_3d3d=11.42047eV Z=30 3s01 3d07 Zn6+ SOC_3s=0.000eV SOC_3d=0.174eV F0_3s3d=36.24271eV G2_3s3d=16.22664eV F0_3d3d=35.49504eV F2_3d3d=17.20836eV F4_3d3d=10.87193eV Z=30 3s01 3d08 Zn5+ SOC_3s=0.000eV SOC_3d=0.161eV F0_3s3d=35.34343eV G2_3s3d=15.77621eV F0_3d3d=34.12023eV F2_3d3d=16.37150eV F4_3d3d=10.30627eV Z=30 3s01 3d09 Zn4+ SOC_3s=0.000eV SOC_3d=0.149eV F0_3s3d=34.41523eV G2_3s3d=15.26746eV F0_3d3d=32.69092eV F2_3d3d=15.50086eV F4_3d3d=9.71927eV Z=30 2p06 3d00 Zn12+ SOC_2p=15.325eV Z=30 2p06 3d01 Zn11+ SOC_2p=15.298eV SOC_3d=0.251eV F0_2p3d=54.73491eV G1_2p3d=11.41214eV F2_2p3d=13.70841eV G3_2p3d=6.53233eV Z=30 2p06 3d02 Zn10+ SOC_2p=15.276eV SOC_3d=0.235eV F0_2p3d=53.38151eV G1_2p3d=10.70813eV F2_2p3d=13.02952eV G3_2p3d=6.12265eV F0_3d3d=40.76182eV F2_3d3d=20.40456eV F4_3d3d=13.04078eV Z=30 2p06 3d03 Zn9+ SOC_2p=15.258eV SOC_3d=0.218eV F0_2p3d=52.00599eV G1_2p3d=10.02400eV F2_2p3d=12.35800eV G3_2p3d=5.72546eV F0_3d3d=39.49025eV F2_3d3d=19.63536eV F4_3d3d=12.51805eV Z=30 2p06 3d04 Zn8+ SOC_2p=15.244eV SOC_3d=0.202eV F0_2p3d=50.60453eV G1_2p3d=9.36069eV F2_2p3d=11.69427eV G3_2p3d=5.34126eV F0_3d3d=38.19183eV F2_3d3d=18.84887eV F4_3d3d=11.98410eV Z=30 2p06 3d05 Zn7+ SOC_2p=15.234eV SOC_3d=0.188eV F0_2p3d=49.17281eV G1_2p3d=8.71927eV F2_2p3d=11.03890eV G3_2p3d=4.97060eV F0_3d3d=36.86116eV F2_3d3d=18.04176eV F4_3d3d=11.43682eV Z=30 2p06 3d06 Zn6+ SOC_2p=15.228eV SOC_3d=0.173eV F0_2p3d=47.70479eV G1_2p3d=8.10052eV F2_2p3d=10.39224eV G3_2p3d=4.61387eV F0_3d3d=35.49079eV F2_3d3d=17.20957eV F4_3d3d=10.87339eV Z=30 2p06 3d07 Zn5+ SOC_2p=15.224eV SOC_3d=0.160eV F0_2p3d=46.19239eV G1_2p3d=7.50507eV F2_2p3d=9.75443eV G3_2p3d=4.27136eV F0_3d3d=34.07056eV F2_3d3d=16.34628eV F4_3d3d=10.29007eV Z=30 2p06 3d08 Zn4+ SOC_2p=15.223eV SOC_3d=0.148eV F0_2p3d=44.62447eV G1_2p3d=6.93336eV F2_2p3d=9.12543eV G3_2p3d=3.94325eV F0_3d3d=32.58624eV F2_3d3d=15.44371eV F4_3d3d=9.68182eV Z=30 2p06 3d09 Zn3+ SOC_2p=15.224eV SOC_3d=0.136eV F0_2p3d=42.98526eV G1_2p3d=6.38571eV F2_2p3d=8.50499eV G3_2p3d=3.62966eV F0_3d3d=31.01718eV F2_3d3d=14.49034eV F4_3d3d=9.04166eV Z=30 2p05 3d00 Zn13+ SOC_2p=15.877eV Z=30 2p05 3d01 Zn12+ SOC_2p=15.844eV SOC_3d=0.307eV F0_2p3d=57.65343eV G1_2p3d=12.85345eV F2_2p3d=15.07362eV G3_2p3d=7.37304eV Z=30 2p05 3d02 Zn11+ SOC_2p=15.816eV SOC_3d=0.288eV F0_2p3d=56.35240eV G1_2p3d=12.13442eV F2_2p3d=14.39698eV G3_2p3d=6.95308eV F0_3d3d=43.27562eV F2_3d3d=21.77825eV F4_3d3d=13.94533eV Z=30 2p05 3d03 Zn10+ SOC_2p=15.793eV SOC_3d=0.270eV F0_2p3d=55.03327eV G1_2p3d=11.43281eV F2_2p3d=13.72646eV G3_2p3d=6.54422eV F0_3d3d=42.04888eV F2_3d3d=21.03315eV F4_3d3d=13.43788eV Z=30 2p05 3d04 Zn9+ SOC_2p=15.774eV SOC_3d=0.252eV F0_2p3d=53.69348eV G1_2p3d=10.74972eV F2_2p3d=13.06264eV G3_2p3d=6.14705eV F0_3d3d=40.80064eV F2_3d3d=20.27390eV F4_3d3d=12.92122eV Z=30 2p05 3d05 Zn8+ SOC_2p=15.760eV SOC_3d=0.235eV F0_2p3d=52.32928eV G1_2p3d=10.08590eV F2_2p3d=12.40582eV G3_2p3d=5.76196eV F0_3d3d=39.52647eV F2_3d3d=19.49783eV F4_3d3d=12.39364eV Z=30 2p05 3d06 Zn7+ SOC_2p=15.749eV SOC_3d=0.219eV F0_2p3d=50.93740eV G1_2p3d=9.44277eV F2_2p3d=11.75683eV G3_2p3d=5.38972eV F0_3d3d=38.22181eV F2_3d3d=18.70204eV F4_3d3d=11.85331eV Z=30 2p05 3d07 Zn6+ SOC_2p=15.742eV SOC_3d=0.203eV F0_2p3d=49.51239eV G1_2p3d=8.82112eV F2_2p3d=11.11602eV G3_2p3d=5.03073eV F0_3d3d=36.87976eV F2_3d3d=17.88234eV F4_3d3d=11.29761eV Z=30 2p05 3d08 Zn5+ SOC_2p=15.738eV SOC_3d=0.189eV F0_2p3d=48.04619eV G1_2p3d=8.22118eV F2_2p3d=10.48319eV G3_2p3d=4.68505eV F0_3d3d=35.49026eV F2_3d3d=17.03287eV F4_3d3d=10.72288eV Z=30 2p05 3d09 Zn4+ SOC_2p=15.737eV SOC_3d=0.175eV F0_2p3d=46.52867eV G1_2p3d=7.64344eV F2_2p3d=9.85830eV G3_2p3d=4.35292eV F0_3d3d=34.04009eV F2_3d3d=16.14595eV F4_3d3d=10.12440eV Z=30 3p06 3d00 Zn12+ SOC_3p=2.670eV Z=30 3p06 3d01 Zn11+ SOC_3p=2.562eV SOC_3d=0.251eV F0_3p3d=40.45860eV G1_3p3d=23.13121eV F2_3p3d=19.90118eV G3_3p3d=14.85185eV Z=30 3p06 3d02 Zn10+ SOC_3p=2.463eV SOC_3d=0.235eV F0_3p3d=39.53787eV G1_3p3d=22.80504eV F2_3p3d=19.43585eV G3_3p3d=14.55315eV F0_3d3d=40.76182eV F2_3d3d=20.40456eV F4_3d3d=13.04078eV Z=30 3p06 3d03 Zn9+ SOC_3p=2.368eV SOC_3d=0.218eV F0_3p3d=38.60871eV G1_3p3d=22.44407eV F2_3p3d=18.95505eV G3_3p3d=14.23355eV F0_3d3d=39.49025eV F2_3d3d=19.63536eV F4_3d3d=12.51805eV Z=30 3p06 3d04 Zn8+ SOC_3p=2.279eV SOC_3d=0.202eV F0_3p3d=37.66916eV G1_3p3d=22.04380eV F2_3p3d=18.45644eV G3_3p3d=13.89068eV F0_3d3d=38.19183eV F2_3d3d=18.84887eV F4_3d3d=11.98410eV Z=30 3p06 3d05 Zn7+ SOC_3p=2.195eV SOC_3d=0.188eV F0_3p3d=36.71696eV G1_3p3d=21.59893eV F2_3p3d=17.93728eV G3_3p3d=13.52179eV F0_3d3d=36.86116eV F2_3d3d=18.04176eV F4_3d3d=11.43682eV Z=30 3p06 3d06 Zn6+ SOC_3p=2.119eV SOC_3d=0.173eV F0_3p3d=35.74885eV G1_3p3d=21.10279eV F2_3p3d=17.39406eV G3_3p3d=13.12353eV F0_3d3d=35.49079eV F2_3d3d=17.20957eV F4_3d3d=10.87339eV Z=30 3p06 3d07 Zn5+ SOC_3p=2.050eV SOC_3d=0.160eV F0_3p3d=34.76019eV G1_3p3d=20.54693eV F2_3p3d=16.82218eV G3_3p3d=12.69167eV F0_3d3d=34.07056eV F2_3d3d=16.34628eV F4_3d3d=10.29007eV Z=30 3p06 3d08 Zn4+ SOC_3p=1.990eV SOC_3d=0.148eV F0_3p3d=33.74412eV G1_3p3d=19.92024eV F2_3p3d=16.21549eV G3_3p3d=12.22087eV F0_3d3d=32.58624eV F2_3d3d=15.44371eV F4_3d3d=9.68182eV Z=30 3p06 3d09 Zn3+ SOC_3p=1.940eV SOC_3d=0.136eV F0_3p3d=32.69011eV G1_3p3d=19.20768eV F2_3p3d=15.56534eV G3_3p3d=11.70408eV F0_3d3d=31.01718eV F2_3d3d=14.49034eV F4_3d3d=9.04166eV Z=30 3p05 3d00 Zn13+ SOC_3p=2.773eV Z=30 3p05 3d01 Zn12+ SOC_3p=2.668eV SOC_3d=0.267eV F0_3p3d=41.27797eV G1_3p3d=23.39816eV F2_3p3d=20.30539eV G3_3p3d=15.10422eV Z=30 3p05 3d02 Zn11+ SOC_3p=2.561eV SOC_3d=0.250eV F0_3p3d=40.37257eV G1_3p3d=23.10442eV F2_3p3d=19.85805eV G3_3p3d=14.82614eV F0_3d3d=41.86438eV F2_3d3d=21.06657eV F4_3d3d=13.49025eV Z=30 3p05 3d03 Zn10+ SOC_3p=2.463eV SOC_3d=0.233eV F0_3p3d=39.46235eV G1_3p3d=22.77778eV F2_3p3d=19.39655eV G3_3p3d=14.52836eV F0_3d3d=40.62806eV F2_3d3d=20.31949eV F4_3d3d=12.98219eV Z=30 3p05 3d04 Zn9+ SOC_3p=2.370eV SOC_3d=0.217eV F0_3p3d=38.54529eV G1_3p3d=22.41719eV F2_3p3d=18.92043eV G3_3p3d=14.21038eV F0_3d3d=39.37166eV F2_3d3d=19.55920eV F4_3d3d=12.46555eV Z=30 3p05 3d05 Zn8+ SOC_3p=2.282eV SOC_3d=0.201eV F0_3p3d=37.61973eV G1_3p3d=22.01852eV F2_3p3d=18.42760eV G3_3p3d=13.87005eV F0_3d3d=38.09115eV F2_3d3d=18.78322eV F4_3d3d=11.93875eV Z=30 3p05 3d06 Zn7+ SOC_3p=2.201eV SOC_3d=0.187eV F0_3p3d=36.68387eV G1_3p3d=21.57696eV F2_3p3d=17.91566eV G3_3p3d=13.50497eV F0_3d3d=36.78183eV F2_3d3d=17.98863eV F4_3d3d=11.39995eV Z=30 3p05 3d07 Zn6+ SOC_3p=2.127eV SOC_3d=0.173eV F0_3p3d=35.73505eV G1_3p3d=21.08658eV F2_3p3d=17.38156eV G3_3p3d=13.11223eV F0_3d3d=35.43725eV F2_3d3d=17.17153eV F4_3d3d=10.84673eV Z=30 3p05 3d08 Zn5+ SOC_3p=2.060eV SOC_3d=0.160eV F0_3p3d=34.76949eV G1_3p3d=20.53998eV F2_3p3d=16.82141eV G3_3p3d=12.68828eV F0_3d3d=34.04869eV F2_3d3d=16.32677eV F4_3d3d=10.27588eV Z=30 3p05 3d09 Zn4+ SOC_3p=2.002eV SOC_3d=0.148eV F0_3p3d=33.78164eV G1_3p3d=19.92769eV F2_3p3d=16.23009eV G3_3p3d=12.22872eV F0_3d3d=32.60408eV F2_3d3d=15.44741eV F4_3d3d=9.68318eV Z=31 1s02 4p00 Ga1+ SOC_1s=0.000eV Z=31 1s02 4p01 Ga0+ SOC_1s=0.000eV SOC_4p=0.059eV F0_1s4p=10.12664eV G1_1s4p=0.09676eV Z=31 1s01 4p00 Ga2+ SOC_1s=0.000eV Z=31 1s01 4p01 Ga1+ SOC_1s=0.000eV SOC_4p=0.129eV F0_1s4p=13.29766eV G1_1s4p=0.19562eV Z=31 1s01 4p02 Ga0+ SOC_1s=0.000eV SOC_4p=0.100eV F0_1s4p=12.01882eV G1_1s4p=0.15179eV F0_4p4p=8.53288eV F2_4p4p=4.36317eV Z=31 2s02 4p00 Ga1+ SOC_2s=0.000eV Z=31 2s02 4p01 Ga0+ SOC_2s=0.000eV SOC_4p=0.059eV F0_2s4p=9.96791eV G1_2s4p=0.07226eV Z=31 2s01 4p00 Ga2+ SOC_2s=0.000eV Z=31 2s01 4p01 Ga1+ SOC_2s=0.000eV SOC_4p=0.119eV F0_2s4p=12.84126eV G1_2s4p=0.14092eV Z=31 2s01 4p02 Ga0+ SOC_2s=0.000eV SOC_4p=0.092eV F0_2s4p=11.64892eV G1_2s4p=0.10954eV F0_4p4p=8.44857eV F2_4p4p=4.32642eV Z=31 3s02 4p00 Ga1+ SOC_3s=0.000eV Z=31 3s02 4p01 Ga0+ SOC_3s=0.000eV SOC_4p=0.059eV F0_3s4p=9.70115eV G1_3s4p=0.25903eV Z=31 3s01 4p00 Ga2+ SOC_3s=0.000eV Z=31 3s01 4p01 Ga1+ SOC_3s=0.000eV SOC_4p=0.121eV F0_3s4p=12.27811eV G1_3s4p=0.49518eV Z=31 3s01 4p02 Ga0+ SOC_3s=0.000eV SOC_4p=0.094eV F0_3s4p=11.20751eV G1_3s4p=0.38837eV F0_4p4p=8.41125eV F2_4p4p=4.30781eV Z=31 2p06 4p00 Ga1+ SOC_2p=17.675eV Z=31 2p06 4p01 Ga0+ SOC_2p=17.675eV SOC_4p=0.059eV F0_2p4p=9.99261eV G0_2p4p=0.09057eV F2_2p4p=0.29574eV G2_2p4p=0.09918eV Z=31 2p05 4p00 Ga2+ SOC_2p=18.247eV Z=31 2p05 4p01 Ga1+ SOC_2p=18.246eV SOC_4p=0.120eV F0_2p4p=12.89843eV G0_2p4p=0.17786eV F2_2p4p=0.55417eV G2_2p4p=0.19504eV Z=31 2p05 4p02 Ga0+ SOC_2p=18.246eV SOC_4p=0.093eV F0_2p4p=11.69077eV G0_2p4p=0.13817eV F2_2p4p=0.43763eV G2_2p4p=0.15142eV F0_4p4p=8.44898eV F2_4p4p=4.32540eV Z=31 3p06 4p00 Ga1+ SOC_3p=2.270eV Z=31 3p06 4p01 Ga0+ SOC_3p=2.271eV SOC_4p=0.059eV F0_3p4p=9.68708eV G0_3p4p=0.22957eV F2_3p4p=1.16313eV G2_3p4p=0.25924eV Z=31 3p05 4p00 Ga2+ SOC_3p=2.333eV Z=31 3p05 4p01 Ga1+ SOC_3p=2.334eV SOC_4p=0.121eV F0_3p4p=12.23219eV G0_3p4p=0.44256eV F2_3p4p=1.95542eV G2_3p4p=0.50221eV Z=31 3p05 4p02 Ga0+ SOC_3p=2.335eV SOC_4p=0.094eV F0_3p4p=11.16468eV G0_3p4p=0.34823eV F2_3p4p=1.60602eV G2_3p4p=0.39261eV F0_4p4p=8.39005eV F2_4p4p=4.29508eV Z=32 1s02 4p00 Ge2+ SOC_1s=0.000eV Z=32 1s02 4p01 Ge1+ SOC_1s=0.000eV SOC_4p=0.130eV F0_1s4p=13.31406eV G1_1s4p=0.19212eV Z=32 1s02 4p02 Ge0+ SOC_1s=0.000eV SOC_4p=0.101eV F0_1s4p=12.02101eV G1_1s4p=0.14864eV F0_4p4p=8.52875eV F2_4p4p=4.35662eV Z=32 1s01 4p00 Ge3+ SOC_1s=0.000eV Z=32 1s01 4p01 Ge2+ SOC_1s=0.000eV SOC_4p=0.217eV F0_1s4p=15.89302eV G1_1s4p=0.29842eV Z=32 1s01 4p02 Ge1+ SOC_1s=0.000eV SOC_4p=0.183eV F0_1s4p=14.84593eV G1_1s4p=0.25068eV F0_4p4p=10.54391eV F2_4p4p=5.55162eV Z=32 1s01 4p03 Ge0+ SOC_1s=0.000eV SOC_4p=0.150eV F0_1s4p=13.69985eV G1_1s4p=0.20590eV F0_4p4p=9.66920eV F2_4p4p=4.97240eV Z=32 2s02 4p00 Ge2+ SOC_2s=0.000eV Z=32 2s02 4p01 Ge1+ SOC_2s=0.000eV SOC_4p=0.130eV F0_2s4p=13.00075eV G1_2s4p=0.14175eV Z=32 2s02 4p02 Ge0+ SOC_2s=0.000eV SOC_4p=0.101eV F0_2s4p=11.77856eV G1_2s4p=0.10977eV F0_4p4p=8.52875eV F2_4p4p=4.35662eV Z=32 2s01 4p00 Ge3+ SOC_2s=0.000eV Z=32 2s01 4p01 Ge2+ SOC_2s=0.000eV SOC_4p=0.202eV F0_2s4p=15.26369eV G1_2s4p=0.21323eV Z=32 2s01 4p02 Ge1+ SOC_2s=0.000eV SOC_4p=0.170eV F0_2s4p=14.30243eV G1_2s4p=0.17919eV F0_4p4p=10.44573eV F2_4p4p=5.50643eV Z=32 2s01 4p03 Ge0+ SOC_2s=0.000eV SOC_4p=0.139eV F0_2s4p=13.23999eV G1_2s4p=0.14726eV F0_4p4p=9.58152eV F2_4p4p=4.93370eV Z=32 3s02 4p00 Ge2+ SOC_3s=0.000eV Z=32 3s02 4p01 Ge1+ SOC_3s=0.000eV SOC_4p=0.130eV F0_3s4p=12.48441eV G1_3s4p=0.47870eV Z=32 3s02 4p02 Ge0+ SOC_3s=0.000eV SOC_4p=0.101eV F0_3s4p=11.37849eV G1_3s4p=0.37403eV F0_4p4p=8.52875eV F2_4p4p=4.35662eV Z=32 3s01 4p00 Ge3+ SOC_3s=0.000eV Z=32 3s01 4p01 Ge2+ SOC_3s=0.000eV SOC_4p=0.204eV F0_3s4p=14.41315eV G1_3s4p=0.70082eV Z=32 3s01 4p02 Ge1+ SOC_3s=0.000eV SOC_4p=0.171eV F0_3s4p=13.58245eV G1_3s4p=0.59640eV F0_4p4p=10.37768eV F2_4p4p=5.46752eV Z=32 3s01 4p03 Ge0+ SOC_3s=0.000eV SOC_4p=0.141eV F0_3s4p=12.64362eV G1_3s4p=0.49534eV F0_4p4p=9.52375eV F2_4p4p=4.90300eV Z=32 2p06 4p00 Ge2+ SOC_2p=20.417eV Z=32 2p06 4p01 Ge1+ SOC_2p=20.416eV SOC_4p=0.130eV F0_2p4p=13.04974eV G0_2p4p=0.17706eV F2_2p4p=0.55420eV G2_2p4p=0.19483eV Z=32 2p06 4p02 Ge0+ SOC_2p=20.416eV SOC_4p=0.101eV F0_2p4p=11.81648eV G0_2p4p=0.13717eV F2_2p4p=0.43660eV G2_2p4p=0.15085eV F0_4p4p=8.52875eV F2_4p4p=4.35662eV Z=32 2p05 4p00 Ge3+ SOC_2p=21.055eV Z=32 2p05 4p01 Ge2+ SOC_2p=21.054eV SOC_4p=0.203eV F0_2p4p=15.35287eV G0_2p4p=0.26835eV F2_2p4p=0.81692eV G2_2p4p=0.29577eV Z=32 2p05 4p02 Ge1+ SOC_2p=21.053eV SOC_4p=0.171eV F0_2p4p=14.37557eV G0_2p4p=0.22539eV F2_2p4p=0.69463eV G2_2p4p=0.24824eV F0_4p4p=10.44997eV F2_4p4p=5.50756eV Z=32 2p05 4p03 Ge0+ SOC_2p=21.053eV SOC_4p=0.140eV F0_2p4p=13.29902eV G0_2p4p=0.18526eV F2_2p4p=0.57819eV G2_2p4p=0.20393eV F0_4p4p=9.58376eV F2_4p4p=4.93360eV Z=32 3p06 4p00 Ge2+ SOC_3p=2.697eV Z=32 3p06 4p01 Ge1+ SOC_3p=2.698eV SOC_4p=0.130eV F0_3p4p=12.46107eV G0_3p4p=0.42373eV F2_3p4p=1.94150eV G2_3p4p=0.48737eV Z=32 3p06 4p02 Ge0+ SOC_3p=2.699eV SOC_4p=0.101eV F0_3p4p=11.36053eV G0_3p4p=0.33204eV F2_3p4p=1.59053eV G2_3p4p=0.37969eV F0_4p4p=8.52875eV F2_4p4p=4.35662eV Z=32 3p05 4p00 Ge3+ SOC_3p=2.775eV Z=32 3p05 4p01 Ge2+ SOC_3p=2.775eV SOC_4p=0.204eV F0_3p4p=14.36362eV G0_3p4p=0.62727eV F2_3p4p=2.64601eV G2_3p4p=0.72276eV Z=32 3p05 4p02 Ge1+ SOC_3p=2.776eV SOC_4p=0.171eV F0_3p4p=13.53705eV G0_3p4p=0.53560eV F2_3p4p=2.32481eV G2_3p4p=0.61312eV F0_4p4p=10.35920eV F2_4p4p=5.45583eV Z=32 3p05 4p03 Ge0+ SOC_3p=2.777eV SOC_4p=0.141eV F0_3p4p=12.60083eV G0_3p4p=0.44594eV F2_3p4p=1.99700eV G2_3p4p=0.50753eV F0_4p4p=9.50382eV F2_4p4p=4.89077eV Z=33 1s02 4p00 As3+ SOC_1s=0.000eV Z=33 1s02 4p01 As2+ SOC_1s=0.000eV SOC_4p=0.220eV F0_1s4p=15.91761eV G1_1s4p=0.29321eV Z=33 1s02 4p02 As1+ SOC_1s=0.000eV SOC_4p=0.185eV F0_1s4p=14.86835eV G1_1s4p=0.24666eV F0_4p4p=10.55228eV F2_4p4p=5.55217eV Z=33 1s02 4p03 As0+ SOC_1s=0.000eV SOC_4p=0.152eV F0_1s4p=13.71125eV G1_1s4p=0.20219eV F0_4p4p=9.67041eV F2_4p4p=4.96876eV Z=33 1s01 4p00 As4+ SOC_1s=0.000eV Z=33 1s01 4p01 As3+ SOC_1s=0.000eV SOC_4p=0.327eV F0_1s4p=18.24826eV G1_1s4p=0.40652eV Z=33 1s01 4p02 As2+ SOC_1s=0.000eV SOC_4p=0.286eV F0_1s4p=17.31130eV G1_1s4p=0.35520eV F0_4p4p=12.22299eV F2_4p4p=6.51962eV Z=33 1s01 4p03 As1+ SOC_1s=0.000eV SOC_4p=0.247eV F0_1s4p=16.32965eV G1_1s4p=0.30708eV F0_4p4p=11.52201eV F2_4p4p=6.06520eV Z=33 1s01 4p04 As0+ SOC_1s=0.000eV SOC_4p=0.210eV F0_1s4p=15.27236eV G1_1s4p=0.26151eV F0_4p4p=10.72146eV F2_4p4p=5.53284eV Z=33 2s02 4p00 As3+ SOC_2s=0.000eV Z=33 2s02 4p01 As2+ SOC_2s=0.000eV SOC_4p=0.220eV F0_2s4p=15.44208eV G1_2s4p=0.21388eV Z=33 2s02 4p02 As1+ SOC_2s=0.000eV SOC_4p=0.185eV F0_2s4p=14.46824eV G1_2s4p=0.18010eV F0_4p4p=10.55228eV F2_4p4p=5.55217eV Z=33 2s02 4p03 As0+ SOC_2s=0.000eV SOC_4p=0.152eV F0_2s4p=13.38322eV G1_2s4p=0.14776eV F0_4p4p=9.67041eV F2_4p4p=4.96876eV Z=33 2s01 4p00 As4+ SOC_2s=0.000eV Z=33 2s01 4p01 As3+ SOC_2s=0.000eV SOC_4p=0.305eV F0_2s4p=17.43910eV G1_2s4p=0.28781eV Z=33 2s01 4p02 As2+ SOC_2s=0.000eV SOC_4p=0.267eV F0_2s4p=16.59386eV G1_2s4p=0.25199eV F0_4p4p=12.11575eV F2_4p4p=6.46831eV Z=33 2s01 4p03 As1+ SOC_2s=0.000eV SOC_4p=0.230eV F0_2s4p=15.69666eV G1_2s4p=0.21792eV F0_4p4p=11.42218eV F2_4p4p=6.01885eV Z=33 2s01 4p04 As0+ SOC_2s=0.000eV SOC_4p=0.196eV F0_2s4p=14.72201eV G1_2s4p=0.18568eV F0_4p4p=10.63059eV F2_4p4p=5.49215eV Z=33 3s02 4p00 As3+ SOC_3s=0.000eV Z=33 3s02 4p01 As2+ SOC_3s=0.000eV SOC_4p=0.220eV F0_3s4p=14.67299eV G1_3s4p=0.68517eV Z=33 3s02 4p02 As1+ SOC_3s=0.000eV SOC_4p=0.185eV F0_3s4p=13.82020eV G1_3s4p=0.58243eV F0_4p4p=10.55228eV F2_4p4p=5.55217eV Z=33 3s02 4p03 As0+ SOC_3s=0.000eV SOC_4p=0.152eV F0_3s4p=12.85130eV G1_3s4p=0.48159eV F0_4p4p=9.67041eV F2_4p4p=4.96876eV Z=33 3s01 4p00 As4+ SOC_3s=0.000eV Z=33 3s01 4p01 As3+ SOC_3s=0.000eV SOC_4p=0.306eV F0_3s4p=16.30988eV G1_3s4p=0.89582eV Z=33 3s01 4p02 As2+ SOC_3s=0.000eV SOC_4p=0.268eV F0_3s4p=15.59685eV G1_3s4p=0.79312eV F0_4p4p=12.02429eV F2_4p4p=6.41375eV Z=33 3s01 4p03 As1+ SOC_3s=0.000eV SOC_4p=0.231eV F0_3s4p=14.82732eV G1_3s4p=0.69299eV F0_4p4p=11.33898eV F2_4p4p=5.97143eV Z=33 3s01 4p04 As0+ SOC_3s=0.000eV SOC_4p=0.197eV F0_3s4p=13.97428eV G1_3s4p=0.59533eV F0_4p4p=10.55655eV F2_4p4p=5.45249eV Z=33 2p06 4p00 As3+ SOC_2p=23.473eV Z=33 2p06 4p01 As2+ SOC_2p=23.472eV SOC_4p=0.220eV F0_2p4p=15.51674eV G0_2p4p=0.26625eV F2_2p4p=0.81443eV G2_2p4p=0.29434eV Z=33 2p06 4p02 As1+ SOC_2p=23.471eV SOC_4p=0.185eV F0_2p4p=14.53108eV G0_2p4p=0.22430eV F2_2p4p=0.69405eV G2_2p4p=0.24781eV F0_4p4p=10.55228eV F2_4p4p=5.55217eV Z=33 2p06 4p03 As0+ SOC_2p=23.470eV SOC_4p=0.152eV F0_2p4p=13.43475eV G0_2p4p=0.18409eV F2_2p4p=0.57690eV G2_2p4p=0.20327eV F0_4p4p=9.67041eV F2_4p4p=4.96876eV Z=33 2p05 4p00 As4+ SOC_2p=24.184eV Z=33 2p05 4p01 As3+ SOC_2p=24.181eV SOC_4p=0.306eV F0_2p4p=17.55489eV G0_2p4p=0.36016eV F2_2p4p=1.08118eV G2_2p4p=0.39888eV Z=33 2p05 4p02 As2+ SOC_2p=24.180eV SOC_4p=0.268eV F0_2p4p=16.69881eV G0_2p4p=0.31602eV F2_2p4p=0.95712eV G2_2p4p=0.34972eV F0_4p4p=12.12217eV F2_4p4p=6.47028eV Z=33 2p05 4p03 As1+ SOC_2p=24.179eV SOC_4p=0.232eV F0_2p4p=15.78562eV G0_2p4p=0.27315eV F2_2p4p=0.83559eV G2_2p4p=0.30209eV F0_4p4p=11.42719eV F2_4p4p=6.02041eV Z=33 2p05 4p04 As0+ SOC_2p=24.178eV SOC_4p=0.197eV F0_2p4p=14.79723eV G0_2p4p=0.23280eV F2_2p4p=0.71934eV G2_2p4p=0.25733eV F0_4p4p=10.63407eV F2_4p4p=5.49275eV Z=33 3p06 4p00 As3+ SOC_3p=3.191eV Z=33 3p06 4p01 As2+ SOC_3p=3.191eV SOC_4p=0.220eV F0_3p4p=14.64370eV G0_3p4p=0.60689eV F2_3p4p=2.63991eV G2_3p4p=0.70771eV Z=33 3p06 4p02 As1+ SOC_3p=3.191eV SOC_4p=0.185eV F0_3p4p=13.79568eV G0_3p4p=0.51748eV F2_3p4p=2.31726eV G2_3p4p=0.59967eV F0_4p4p=10.55228eV F2_4p4p=5.55217eV Z=33 3p06 4p03 As0+ SOC_3p=3.192eV SOC_4p=0.152eV F0_3p4p=12.83130eV G0_3p4p=0.42886eV F2_3p4p=1.98666eV G2_3p4p=0.49468eV F0_4p4p=9.67041eV F2_4p4p=4.96876eV Z=33 3p05 4p00 As4+ SOC_3p=3.284eV Z=33 3p05 4p01 As3+ SOC_3p=3.283eV SOC_4p=0.306eV F0_3p4p=16.25719eV G0_3p4p=0.80232eV F2_3p4p=3.29332eV G2_3p4p=0.93539eV Z=33 3p05 4p02 As2+ SOC_3p=3.283eV SOC_4p=0.268eV F0_3p4p=15.54939eV G0_3p4p=0.71317eV F2_3p4p=2.98897eV G2_3p4p=0.82641eV F0_4p4p=12.00679eV F2_4p4p=6.40215eV Z=33 3p05 4p03 As1+ SOC_3p=3.283eV SOC_4p=0.232eV F0_3p4p=14.78284eV G0_3p4p=0.62470eV F2_3p4p=2.68062eV G2_3p4p=0.71991eV F0_4p4p=11.32083eV F2_4p4p=5.95983eV Z=33 3p05 4p04 As0+ SOC_3p=3.283eV SOC_4p=0.197eV F0_3p4p=13.93322eV G0_3p4p=0.53839eV F2_3p4p=2.36797eV G2_3p4p=0.61729eV F0_4p4p=10.53764eV F2_4p4p=5.44038eV Z=34 1s02 4p00 Se4+ SOC_1s=0.000eV Z=34 1s02 4p01 Se3+ SOC_1s=0.000eV SOC_4p=0.331eV F0_1s4p=18.27562eV G1_1s4p=0.39955eV Z=34 1s02 4p02 Se2+ SOC_1s=0.000eV SOC_4p=0.289eV F0_1s4p=17.33967eV G1_1s4p=0.34962eV F0_4p4p=12.23646eV F2_4p4p=6.52392eV Z=34 1s02 4p03 Se1+ SOC_1s=0.000eV SOC_4p=0.251eV F0_1s4p=16.35713eV G1_1s4p=0.30268eV F0_4p4p=11.53216eV F2_4p4p=6.06648eV Z=34 1s02 4p04 Se0+ SOC_1s=0.000eV SOC_4p=0.213eV F0_1s4p=15.28830eV G1_1s4p=0.25707eV F0_4p4p=10.72593eV F2_4p4p=5.53131eV Z=34 1s01 4p00 Se5+ SOC_1s=0.000eV Z=34 1s01 4p01 Se4+ SOC_1s=0.000eV SOC_4p=0.458eV F0_1s4p=20.45410eV G1_1s4p=0.51753eV Z=34 1s01 4p02 Se3+ SOC_1s=0.000eV SOC_4p=0.411eV F0_1s4p=19.59325eV G1_1s4p=0.46455eV F0_4p4p=13.73811eV F2_4p4p=7.37448eV Z=34 1s01 4p03 Se2+ SOC_1s=0.000eV SOC_4p=0.366eV F0_1s4p=18.70128eV G1_1s4p=0.41362eV F0_4p4p=13.13066eV F2_4p4p=6.99058eV Z=34 1s01 4p04 Se1+ SOC_1s=0.000eV SOC_4p=0.323eV F0_1s4p=17.76982eV G1_1s4p=0.36517eV F0_4p4p=12.46693eV F2_4p4p=6.55921eV Z=34 1s01 4p05 Se0+ SOC_1s=0.000eV SOC_4p=0.282eV F0_1s4p=16.77918eV G1_1s4p=0.31921eV F0_4p4p=11.72018eV F2_4p4p=6.06107eV Z=34 2s02 4p00 Se4+ SOC_2s=0.000eV Z=34 2s02 4p01 Se3+ SOC_2s=0.000eV SOC_4p=0.331eV F0_2s4p=17.63101eV G1_2s4p=0.28825eV Z=34 2s02 4p02 Se2+ SOC_2s=0.000eV SOC_4p=0.289eV F0_2s4p=16.77549eV G1_2s4p=0.25254eV F0_4p4p=12.23646eV F2_4p4p=6.52392eV Z=34 2s02 4p03 Se1+ SOC_2s=0.000eV SOC_4p=0.251eV F0_2s4p=15.86861eV G1_2s4p=0.21886eV F0_4p4p=11.53216eV F2_4p4p=6.06648eV Z=34 2s02 4p04 Se0+ SOC_2s=0.000eV SOC_4p=0.213eV F0_2s4p=14.87333eV G1_2s4p=0.18602eV F0_4p4p=10.72593eV F2_4p4p=5.53131eV Z=34 2s01 4p00 Se5+ SOC_2s=0.000eV Z=34 2s01 4p01 Se4+ SOC_2s=0.000eV SOC_4p=0.430eV F0_2s4p=19.47272eV G1_2s4p=0.36418eV Z=34 2s01 4p02 Se3+ SOC_2s=0.000eV SOC_4p=0.385eV F0_2s4p=18.69605eV G1_2s4p=0.32661eV F0_4p4p=13.62362eV F2_4p4p=7.31853eV Z=34 2s01 4p03 Se2+ SOC_2s=0.000eV SOC_4p=0.342eV F0_2s4p=17.89139eV G1_2s4p=0.29105eV F0_4p4p=13.02200eV F2_4p4p=6.93852eV Z=34 2s01 4p04 Se1+ SOC_2s=0.000eV SOC_4p=0.302eV F0_2s4p=17.04302eV G1_2s4p=0.25695eV F0_4p4p=12.36494eV F2_4p4p=6.51185eV Z=34 2s01 4p05 Se0+ SOC_2s=0.000eV SOC_4p=0.264eV F0_2s4p=16.13269eV G1_2s4p=0.22454eV F0_4p4p=11.62605eV F2_4p4p=6.01906eV Z=34 3s02 4p00 Se4+ SOC_3s=0.000eV Z=34 3s02 4p01 Se3+ SOC_3s=0.000eV SOC_4p=0.331eV F0_3s4p=16.60741eV G1_3s4p=0.88079eV Z=34 3s02 4p02 Se2+ SOC_3s=0.000eV SOC_4p=0.289eV F0_3s4p=15.87801eV G1_3s4p=0.77938eV F0_4p4p=12.23646eV F2_4p4p=6.52392eV Z=34 3s02 4p03 Se1+ SOC_3s=0.000eV SOC_4p=0.251eV F0_3s4p=15.09033eV G1_3s4p=0.68111eV F0_4p4p=11.53216eV F2_4p4p=6.06648eV Z=34 3s02 4p04 Se0+ SOC_3s=0.000eV SOC_4p=0.213eV F0_3s4p=14.21150eV G1_3s4p=0.58307eV F0_4p4p=10.72593eV F2_4p4p=5.53131eV Z=34 3s01 4p00 Se5+ SOC_3s=0.000eV Z=34 3s01 4p01 Se4+ SOC_3s=0.000eV SOC_4p=0.429eV F0_3s4p=18.06642eV G1_3s4p=1.07932eV Z=34 3s01 4p02 Se3+ SOC_3s=0.000eV SOC_4p=0.385eV F0_3s4p=17.42754eV G1_3s4p=0.97997eV F0_4p4p=13.51400eV F2_4p4p=7.25132eV Z=34 3s01 4p03 Se2+ SOC_3s=0.000eV SOC_4p=0.343eV F0_3s4p=16.75272eV G1_3s4p=0.88210eV F0_4p4p=12.91919eV F2_4p4p=6.87755eV Z=34 3s01 4p04 Se1+ SOC_3s=0.000eV SOC_4p=0.303eV F0_3s4p=16.02962eV G1_3s4p=0.78557eV F0_4p4p=12.26952eV F2_4p4p=6.45754eV Z=34 3s01 4p05 Se0+ SOC_3s=0.000eV SOC_4p=0.265eV F0_3s4p=15.24070eV G1_3s4p=0.69213eV F0_4p4p=11.53915eV F2_4p4p=5.97152eV Z=34 2p06 4p00 Se4+ SOC_2p=26.869eV Z=34 2p06 4p01 Se3+ SOC_2p=26.867eV SOC_4p=0.331eV F0_2p4p=17.73257eV G0_2p4p=0.35770eV F2_2p4p=1.07806eV G2_2p4p=0.39717eV Z=34 2p06 4p02 Se2+ SOC_2p=26.865eV SOC_4p=0.289eV F0_2p4p=16.86441eV G0_2p4p=0.31350eV F2_2p4p=0.95356eV G2_2p4p=0.34787eV F0_4p4p=12.23646eV F2_4p4p=6.52392eV Z=34 2p06 4p03 Se1+ SOC_2p=26.864eV SOC_4p=0.251eV F0_2p4p=15.94562eV G0_2p4p=0.27179eV F2_2p4p=0.83439eV G2_2p4p=0.30141eV F0_4p4p=11.53216eV F2_4p4p=6.06648eV Z=34 2p06 4p04 Se0+ SOC_2p=26.864eV SOC_4p=0.213eV F0_2p4p=14.93876eV G0_2p4p=0.23109eV F2_2p4p=0.71689eV G2_2p4p=0.25615eV F0_4p4p=10.72593eV F2_4p4p=5.53131eV Z=34 2p05 4p00 Se5+ SOC_2p=27.658eV Z=34 2p05 4p01 Se4+ SOC_2p=27.654eV SOC_4p=0.432eV F0_2p4p=19.62088eV G0_2p4p=0.45427eV F2_2p4p=1.35031eV G2_2p4p=0.50543eV Z=34 2p05 4p02 Se3+ SOC_2p=27.652eV SOC_4p=0.387eV F0_2p4p=18.82960eV G0_2p4p=0.40770eV F2_2p4p=1.22110eV G2_2p4p=0.45324eV F0_4p4p=13.63138eV F2_4p4p=7.32167eV Z=34 2p05 4p03 Se2+ SOC_2p=27.650eV SOC_4p=0.344eV F0_2p4p=18.01066eV G0_2p4p=0.36349eV F2_2p4p=1.09715eV G2_2p4p=0.40380eV F0_4p4p=13.02898eV F2_4p4p=6.94119eV Z=34 2p05 4p04 Se1+ SOC_2p=27.649eV SOC_4p=0.304eV F0_2p4p=17.14805eV G0_2p4p=0.32101eV F2_2p4p=0.97689eV G2_2p4p=0.35640eV F0_4p4p=12.37073eV F2_4p4p=6.51382eV Z=34 2p05 4p05 Se0+ SOC_2p=27.648eV SOC_4p=0.265eV F0_2p4p=16.22310eV G0_2p4p=0.28046eV F2_2p4p=0.86064eV G2_2p4p=0.31122eV F0_4p4p=11.63033eV F2_4p4p=6.02029eV Z=34 3p06 4p00 Se4+ SOC_3p=3.756eV Z=34 3p06 4p01 Se3+ SOC_3p=3.755eV SOC_4p=0.331eV F0_3p4p=16.57504eV G0_3p4p=0.78156eV F2_3p4p=3.29488eV G2_3p4p=0.92114eV Z=34 3p06 4p02 Se2+ SOC_3p=3.754eV SOC_4p=0.289eV F0_3p4p=15.84979eV G0_3p4p=0.69338eV F2_3p4p=2.98820eV G2_3p4p=0.81271eV F0_4p4p=12.23646eV F2_4p4p=6.52392eV Z=34 3p06 4p03 Se1+ SOC_3p=3.754eV SOC_4p=0.251eV F0_3p4p=15.06603eV G0_3p4p=0.60764eV F2_3p4p=2.67910eV G2_3p4p=0.70813eV F0_4p4p=11.53216eV F2_4p4p=6.06648eV Z=34 3p06 4p04 Se0+ SOC_3p=3.755eV SOC_4p=0.213eV F0_3p4p=14.19097eV G0_3p4p=0.52108eV F2_3p4p=2.36266eV G2_3p4p=0.60507eV F0_4p4p=10.72593eV F2_4p4p=5.53131eV Z=34 3p05 4p00 Se5+ SOC_3p=3.866eV Z=34 3p05 4p01 Se4+ SOC_3p=3.863eV SOC_4p=0.429eV F0_3p4p=18.01537eV G0_3p4p=0.96932eV F2_3p4p=3.91068eV G2_3p4p=1.14071eV Z=34 3p05 4p02 Se3+ SOC_3p=3.861eV SOC_4p=0.385eV F0_3p4p=17.38100eV G0_3p4p=0.88323eV F2_3p4p=3.61911eV G2_3p4p=1.03335eV F0_4p4p=13.49754eV F2_4p4p=7.23961eV Z=34 3p05 4p03 Se2+ SOC_3p=3.861eV SOC_4p=0.343eV F0_3p4p=16.70894eV G0_3p4p=0.79702eV F2_3p4p=3.32444eV G2_3p4p=0.92747eV F0_4p4p=12.90243eV F2_4p4p=6.86610eV Z=34 3p05 4p04 Se1+ SOC_3p=3.860eV SOC_4p=0.303eV F0_3p4p=15.98953eV G0_3p4p=0.71223eV F2_3p4p=3.02736eV G2_3p4p=0.82444eV F0_4p4p=12.25253eV F2_4p4p=6.44576eV Z=34 3p05 4p05 Se0+ SOC_3p=3.861eV SOC_4p=0.265eV F0_3p4p=15.20085eV G0_3p4p=0.62785eV F2_3p4p=2.72551eV G2_3p4p=0.72369eV F0_4p4p=11.52106eV F2_4p4p=5.96016eV Z=35 1s02 4p00 Br5+ SOC_1s=0.000eV Z=35 1s02 4p01 Br4+ SOC_1s=0.000eV SOC_4p=0.464eV F0_1s4p=20.49266eV G1_1s4p=0.51004eV Z=35 1s02 4p02 Br3+ SOC_1s=0.000eV SOC_4p=0.417eV F0_1s4p=19.63274eV G1_1s4p=0.45833eV F0_4p4p=13.75551eV F2_4p4p=7.38025eV Z=35 1s02 4p03 Br2+ SOC_1s=0.000eV SOC_4p=0.371eV F0_1s4p=18.73247eV G1_1s4p=0.40744eV F0_4p4p=13.14509eV F2_4p4p=6.99528eV Z=35 1s02 4p04 Br1+ SOC_1s=0.000eV SOC_4p=0.327eV F0_1s4p=17.79285eV G1_1s4p=0.35909eV F0_4p4p=12.47787eV F2_4p4p=6.56228eV Z=35 1s02 4p05 Br0+ SOC_1s=0.000eV SOC_4p=0.285eV F0_1s4p=16.79349eV G1_1s4p=0.31328eV F0_4p4p=11.72672eV F2_4p4p=6.06181eV Z=35 1s01 4p00 Br6+ SOC_1s=0.000eV Z=35 1s01 4p01 Br5+ SOC_1s=0.000eV SOC_4p=0.615eV F0_1s4p=22.57470eV G1_1s4p=0.63286eV Z=35 1s01 4p02 Br4+ SOC_1s=0.000eV SOC_4p=0.562eV F0_1s4p=21.76787eV G1_1s4p=0.57873eV F0_4p4p=15.15584eV F2_4p4p=8.15949eV Z=35 1s01 4p03 Br3+ SOC_1s=0.000eV SOC_4p=0.510eV F0_1s4p=20.93014eV G1_1s4p=0.52495eV F0_4p4p=14.60713eV F2_4p4p=7.82221eV Z=35 1s01 4p04 Br2+ SOC_1s=0.000eV SOC_4p=0.460eV F0_1s4p=20.06802eV G1_1s4p=0.47336eV F0_4p4p=14.02169eV F2_4p4p=7.45205eV Z=35 1s01 4p05 Br1+ SOC_1s=0.000eV SOC_4p=0.412eV F0_1s4p=19.17265eV G1_1s4p=0.42406eV F0_4p4p=13.38693eV F2_4p4p=7.03945eV Z=35 1s01 4p06 Br0+ SOC_1s=0.000eV SOC_4p=0.366eV F0_1s4p=18.22768eV G1_1s4p=0.37696eV F0_4p4p=12.68090eV F2_4p4p=6.56852eV Z=35 2s02 4p00 Br5+ SOC_2s=0.000eV Z=35 2s02 4p01 Br4+ SOC_2s=0.000eV SOC_4p=0.464eV F0_2s4p=19.67390eV G1_2s4p=0.36416eV Z=35 2s02 4p02 Br3+ SOC_2s=0.000eV SOC_4p=0.417eV F0_2s4p=18.89678eV G1_2s4p=0.32768eV F0_4p4p=13.75551eV F2_4p4p=7.38025eV Z=35 2s02 4p03 Br2+ SOC_2s=0.000eV SOC_4p=0.371eV F0_2s4p=18.07809eV G1_2s4p=0.29163eV F0_4p4p=13.14509eV F2_4p4p=6.99528eV Z=35 2s02 4p04 Br1+ SOC_2s=0.000eV SOC_4p=0.327eV F0_2s4p=17.21602eV G1_2s4p=0.25727eV F0_4p4p=12.47787eV F2_4p4p=6.56228eV Z=35 2s02 4p05 Br0+ SOC_2s=0.000eV SOC_4p=0.285eV F0_2s4p=16.29018eV G1_2s4p=0.22462eV F0_4p4p=11.72672eV F2_4p4p=6.06181eV Z=35 2s01 4p00 Br6+ SOC_2s=0.000eV Z=35 2s01 4p01 Br5+ SOC_2s=0.000eV SOC_4p=0.577eV F0_2s4p=21.40259eV G1_2s4p=0.44056eV Z=35 2s01 4p02 Br4+ SOC_2s=0.000eV SOC_4p=0.527eV F0_2s4p=20.68183eV G1_2s4p=0.40273eV F0_4p4p=15.03460eV F2_4p4p=8.10027eV Z=35 2s01 4p03 Br3+ SOC_2s=0.000eV SOC_4p=0.478eV F0_2s4p=19.93998eV G1_2s4p=0.36630eV F0_4p4p=14.49170eV F2_4p4p=7.76541eV Z=35 2s01 4p04 Br2+ SOC_2s=0.000eV SOC_4p=0.432eV F0_2s4p=19.16763eV G1_2s4p=0.33087eV F0_4p4p=13.91194eV F2_4p4p=7.39846eV Z=35 2s01 4p05 Br1+ SOC_2s=0.000eV SOC_4p=0.386eV F0_2s4p=18.35371eV G1_2s4p=0.29621eV F0_4p4p=13.28297eV F2_4p4p=6.99057eV Z=35 2s01 4p06 Br0+ SOC_2s=0.000eV SOC_4p=0.343eV F0_2s4p=17.49106eV G1_2s4p=0.26346eV F0_4p4p=12.58410eV F2_4p4p=6.52427eV Z=35 3s02 4p00 Br5+ SOC_3s=0.000eV Z=35 3s02 4p01 Br4+ SOC_3s=0.000eV SOC_4p=0.464eV F0_3s4p=18.39604eV G1_3s4p=1.06673eV Z=35 3s02 4p02 Br3+ SOC_3s=0.000eV SOC_4p=0.417eV F0_3s4p=17.74590eV G1_3s4p=0.96934eV F0_4p4p=13.75551eV F2_4p4p=7.38025eV Z=35 3s02 4p03 Br2+ SOC_3s=0.000eV SOC_4p=0.371eV F0_3s4p=17.05305eV G1_3s4p=0.87058eV F0_4p4p=13.14509eV F2_4p4p=6.99528eV Z=35 3s02 4p04 Br1+ SOC_3s=0.000eV SOC_4p=0.327eV F0_3s4p=16.31121eV G1_3s4p=0.77401eV F0_4p4p=12.47787eV F2_4p4p=6.56228eV Z=35 3s02 4p05 Br0+ SOC_3s=0.000eV SOC_4p=0.285eV F0_3s4p=15.49989eV G1_3s4p=0.68004eV F0_4p4p=11.72672eV F2_4p4p=6.06181eV Z=35 3s01 4p00 Br6+ SOC_3s=0.000eV Z=35 3s01 4p01 Br5+ SOC_3s=0.000eV SOC_4p=0.575eV F0_3s4p=19.73143eV G1_3s4p=1.25333eV Z=35 3s01 4p02 Br4+ SOC_3s=0.000eV SOC_4p=0.525eV F0_3s4p=19.14515eV G1_3s4p=1.15822eV F0_4p4p=14.91023eV F2_4p4p=8.02296eV Z=35 3s01 4p03 Br3+ SOC_3s=0.000eV SOC_4p=0.478eV F0_3s4p=18.53377eV G1_3s4p=1.06391eV F0_4p4p=14.37310eV F2_4p4p=7.69345eV Z=35 3s01 4p04 Br2+ SOC_3s=0.000eV SOC_4p=0.431eV F0_3s4p=17.88848eV G1_3s4p=0.96931eV F0_4p4p=13.79952eV F2_4p4p=7.33245eV Z=35 3s01 4p05 Br1+ SOC_3s=0.000eV SOC_4p=0.386eV F0_3s4p=17.20030eV G1_3s4p=0.87493eV F0_4p4p=13.17738eV F2_4p4p=6.93055eV Z=35 3s01 4p06 Br0+ SOC_3s=0.000eV SOC_4p=0.343eV F0_3s4p=16.45723eV G1_3s4p=0.78320eV F0_4p4p=12.48614eV F2_4p4p=6.47089eV Z=35 2p06 4p00 Br5+ SOC_2p=30.631eV Z=35 2p06 4p01 Br4+ SOC_2p=30.628eV SOC_4p=0.464eV F0_2p4p=19.80327eV G0_2p4p=0.45045eV F2_2p4p=1.34412eV G2_2p4p=0.50231eV Z=35 2p06 4p02 Br3+ SOC_2p=30.625eV SOC_4p=0.417eV F0_2p4p=19.01311eV G0_2p4p=0.40550eV F2_2p4p=1.21853eV G2_2p4p=0.45186eV F0_4p4p=13.75551eV F2_4p4p=7.38025eV Z=35 2p06 4p03 Br2+ SOC_2p=30.623eV SOC_4p=0.371eV F0_2p4p=18.18156eV G0_2p4p=0.36103eV F2_2p4p=1.09368eV G2_2p4p=0.40205eV F0_4p4p=13.14509eV F2_4p4p=6.99528eV Z=35 2p06 4p04 Br1+ SOC_2p=30.622eV SOC_4p=0.327eV F0_2p4p=17.30725eV G0_2p4p=0.31860eV F2_2p4p=0.97323eV G2_2p4p=0.35461eV F0_4p4p=12.47787eV F2_4p4p=6.56228eV Z=35 2p06 4p05 Br0+ SOC_2p=30.621eV SOC_4p=0.285eV F0_2p4p=16.36980eV G0_2p4p=0.27824eV F2_2p4p=0.85709eV G2_2p4p=0.30956eV F0_4p4p=11.72672eV F2_4p4p=6.06181eV Z=35 2p05 4p00 Br6+ SOC_2p=31.504eV Z=35 2p05 4p01 Br5+ SOC_2p=31.499eV SOC_4p=0.580eV F0_2p4p=21.58207eV G0_2p4p=0.54756eV F2_2p4p=1.61751eV G2_2p4p=0.61193eV Z=35 2p05 4p02 Br4+ SOC_2p=31.495eV SOC_4p=0.530eV F0_2p4p=20.84617eV G0_2p4p=0.50085eV F2_2p4p=1.48829eV G2_2p4p=0.55924eV F0_4p4p=15.04353eV F2_4p4p=8.10404eV Z=35 2p05 4p03 Br3+ SOC_2p=31.492eV SOC_4p=0.481eV F0_2p4p=20.08714eV G0_2p4p=0.45539eV F2_2p4p=1.36182eV G2_2p4p=0.50809eV F0_4p4p=14.49955eV F2_4p4p=7.76919eV Z=35 2p05 4p04 Br2+ SOC_2p=31.490eV SOC_4p=0.434eV F0_2p4p=19.30545eV G0_2p4p=0.41225eV F2_2p4p=1.24057eV G2_2p4p=0.45965eV F0_4p4p=13.91974eV F2_4p4p=7.40100eV Z=35 2p05 4p05 Br1+ SOC_2p=31.489eV SOC_4p=0.388eV F0_2p4p=18.47495eV G0_2p4p=0.36888eV F2_2p4p=1.11844eV G2_2p4p=0.41105eV F0_4p4p=13.28949eV F2_4p4p=6.99292eV Z=35 2p05 4p06 Br0+ SOC_2p=31.488eV SOC_4p=0.345eV F0_2p4p=17.59848eV G0_2p4p=0.32818eV F2_2p4p=1.00213eV G2_2p4p=0.36552eV F0_4p4p=12.58935eV F2_4p4p=6.52585eV Z=35 3p06 4p00 Br5+ SOC_3p=4.399eV Z=35 3p06 4p01 Br4+ SOC_3p=4.396eV SOC_4p=0.464eV F0_3p4p=18.36314eV G0_3p4p=0.94886eV F2_3p4p=3.91944eV G2_3p4p=1.12775eV Z=35 3p06 4p02 Br3+ SOC_3p=4.394eV SOC_4p=0.417eV F0_3p4p=17.71643eV G0_3p4p=0.86456eV F2_3p4p=3.62676eV G2_3p4p=1.02162eV F0_4p4p=13.75551eV F2_4p4p=7.38025eV Z=35 3p06 4p03 Br2+ SOC_3p=4.393eV SOC_4p=0.371eV F0_3p4p=17.02697eV G0_3p4p=0.77806eV F2_3p4p=3.32873eV G2_3p4p=0.91530eV F0_4p4p=13.14509eV F2_4p4p=6.99528eV Z=35 3p06 4p04 Br1+ SOC_3p=4.393eV SOC_4p=0.327eV F0_3p4p=16.28835eV G0_3p4p=0.69314eV F2_3p4p=3.02831eV G2_3p4p=0.81193eV F0_4p4p=12.47787eV F2_4p4p=6.56228eV Z=35 3p06 4p05 Br0+ SOC_3p=4.393eV SOC_4p=0.285eV F0_3p4p=15.48007eV G0_3p4p=0.61010eV F2_3p4p=2.72444eV G2_3p4p=0.71194eV F0_4p4p=11.72672eV F2_4p4p=6.06181eV Z=35 3p05 4p00 Br6+ SOC_3p=4.527eV Z=35 3p05 4p01 Br5+ SOC_3p=4.522eV SOC_4p=0.576eV F0_3p4p=19.68566eV G0_3p4p=1.12966eV F2_3p4p=4.50537eV G2_3p4p=1.33943eV Z=35 3p05 4p02 Br4+ SOC_3p=4.518eV SOC_4p=0.526eV F0_3p4p=19.10169eV G0_3p4p=1.04655eV F2_3p4p=4.22413eV G2_3p4p=1.23409eV F0_4p4p=14.89487eV F2_4p4p=8.01121eV Z=35 3p05 4p03 Br3+ SOC_3p=4.516eV SOC_4p=0.479eV F0_3p4p=18.49434eV G0_3p4p=0.96507eV F2_3p4p=3.94222eV G2_3p4p=1.13118eV F0_4p4p=14.35789eV F2_4p4p=7.68130eV Z=35 3p05 4p04 Br2+ SOC_3p=4.515eV SOC_4p=0.431eV F0_3p4p=17.84778eV G0_3p4p=0.87911eV F2_3p4p=3.65355eV G2_3p4p=1.02627eV F0_4p4p=13.78315eV F2_4p4p=7.32161eV Z=35 3p05 4p05 Br1+ SOC_3p=4.514eV SOC_4p=0.386eV F0_3p4p=17.16297eV G0_3p4p=0.79580eV F2_3p4p=3.36419eV G2_3p4p=0.92498eV F0_4p4p=13.16101eV F2_4p4p=6.91940eV Z=35 3p05 4p06 Br0+ SOC_3p=4.514eV SOC_4p=0.343eV F0_3p4p=16.42140eV G0_3p4p=0.71357eV F2_3p4p=3.07155eV G2_3p4p=0.82628eV F0_4p4p=12.46917eV F2_4p4p=6.45972eV Z=36 1s02 4p00 Kr6+ SOC_1s=0.000eV Z=36 1s02 4p01 Kr5+ SOC_1s=0.000eV SOC_4p=0.623eV F0_1s4p=22.61911eV G1_1s4p=0.62406eV Z=36 1s02 4p02 Kr4+ SOC_1s=0.000eV SOC_4p=0.568eV F0_1s4p=21.80039eV G1_1s4p=0.56929eV F0_4p4p=15.17434eV F2_4p4p=8.16821eV Z=36 1s02 4p03 Kr3+ SOC_1s=0.000eV SOC_4p=0.516eV F0_1s4p=20.96296eV G1_1s4p=0.51666eV F0_4p4p=14.62432eV F2_4p4p=7.82930eV Z=36 1s02 4p04 Kr2+ SOC_1s=0.000eV SOC_4p=0.465eV F0_1s4p=20.09866eV G1_1s4p=0.46594eV F0_4p4p=14.03682eV F2_4p4p=7.45748eV Z=36 1s02 4p05 Kr1+ SOC_1s=0.000eV SOC_4p=0.417eV F0_1s4p=19.20329eV G1_1s4p=0.41786eV F0_4p4p=13.39967eV F2_4p4p=7.04251eV Z=36 1s02 4p06 Kr0+ SOC_1s=0.000eV SOC_4p=0.371eV F0_1s4p=18.25300eV G1_1s4p=0.37130eV F0_4p4p=12.68998eV F2_4p4p=6.56931eV Z=36 1s01 4p00 Kr7+ SOC_1s=0.000eV Z=36 1s01 4p01 Kr6+ SOC_1s=0.000eV SOC_4p=0.800eV F0_1s4p=24.63177eV G1_1s4p=0.75162eV Z=36 1s01 4p02 Kr5+ SOC_1s=0.000eV SOC_4p=0.739eV F0_1s4p=23.85479eV G1_1s4p=0.69485eV F0_4p4p=16.50732eV F2_4p4p=8.89977eV Z=36 1s01 4p03 Kr4+ SOC_1s=0.000eV SOC_4p=0.680eV F0_1s4p=23.06146eV G1_1s4p=0.63942eV F0_4p4p=16.00004eV F2_4p4p=8.59459eV Z=36 1s01 4p04 Kr3+ SOC_1s=0.000eV SOC_4p=0.624eV F0_1s4p=22.25832eV G1_1s4p=0.58697eV F0_4p4p=15.46740eV F2_4p4p=8.26401eV Z=36 1s01 4p05 Kr2+ SOC_1s=0.000eV SOC_4p=0.568eV F0_1s4p=21.41468eV G1_1s4p=0.53377eV F0_4p4p=14.89946eV F2_4p4p=7.90604eV Z=36 1s01 4p06 Kr1+ SOC_1s=0.000eV SOC_4p=0.514eV F0_1s4p=20.54983eV G1_1s4p=0.48382eV F0_4p4p=14.28827eV F2_4p4p=7.50858eV Z=36 2s02 4p00 Kr6+ SOC_2s=0.000eV Z=36 2s02 4p01 Kr5+ SOC_2s=0.000eV SOC_4p=0.623eV F0_2s4p=21.62200eV G1_2s4p=0.44133eV Z=36 2s02 4p02 Kr4+ SOC_2s=0.000eV SOC_4p=0.568eV F0_2s4p=20.89053eV G1_2s4p=0.40317eV F0_4p4p=15.17434eV F2_4p4p=8.16821eV Z=36 2s02 4p03 Kr3+ SOC_2s=0.000eV SOC_4p=0.516eV F0_2s4p=20.13703eV G1_2s4p=0.36634eV F0_4p4p=14.62432eV F2_4p4p=7.82930eV Z=36 2s02 4p04 Kr2+ SOC_2s=0.000eV SOC_4p=0.465eV F0_2s4p=19.35365eV G1_2s4p=0.33071eV F0_4p4p=14.03682eV F2_4p4p=7.45748eV Z=36 2s02 4p05 Kr1+ SOC_2s=0.000eV SOC_4p=0.417eV F0_2s4p=18.53505eV G1_2s4p=0.29683eV F0_4p4p=13.39967eV F2_4p4p=7.04251eV Z=36 2s02 4p06 Kr0+ SOC_2s=0.000eV SOC_4p=0.371eV F0_2s4p=17.65913eV G1_2s4p=0.26394eV F0_4p4p=12.68998eV F2_4p4p=6.56931eV Z=36 2s01 4p00 Kr7+ SOC_2s=0.000eV Z=36 2s01 4p01 Kr6+ SOC_2s=0.000eV SOC_4p=0.752eV F0_2s4p=23.27516eV G1_2s4p=0.51910eV Z=36 2s01 4p02 Kr5+ SOC_2s=0.000eV SOC_4p=0.695eV F0_2s4p=22.58687eV G1_2s4p=0.47987eV F0_4p4p=16.38129eV F2_4p4p=8.83628eV Z=36 2s01 4p03 Kr4+ SOC_2s=0.000eV SOC_4p=0.639eV F0_2s4p=21.88585eV G1_2s4p=0.44220eV F0_4p4p=15.87836eV F2_4p4p=8.53402eV Z=36 2s01 4p04 Kr3+ SOC_2s=0.000eV SOC_4p=0.585eV F0_2s4p=21.16387eV G1_2s4p=0.40552eV F0_4p4p=15.34940eV F2_4p4p=8.20780eV Z=36 2s01 4p05 Kr2+ SOC_2s=0.000eV SOC_4p=0.534eV F0_2s4p=20.41835eV G1_2s4p=0.37019eV F0_4p4p=14.78783eV F2_4p4p=7.85175eV Z=36 2s01 4p06 Kr1+ SOC_2s=0.000eV SOC_4p=0.485eV F0_2s4p=19.64246eV G1_2s4p=0.33639eV F0_4p4p=14.18283eV F2_4p4p=7.45738eV Z=36 3s02 4p00 Kr6+ SOC_3s=0.000eV Z=36 3s02 4p01 Kr5+ SOC_3s=0.000eV SOC_4p=0.623eV F0_3s4p=20.09063eV G1_3s4p=1.24485eV Z=36 3s02 4p02 Kr4+ SOC_3s=0.000eV SOC_4p=0.568eV F0_3s4p=19.49019eV G1_3s4p=1.14864eV F0_4p4p=15.17434eV F2_4p4p=8.16821eV Z=36 3s02 4p03 Kr3+ SOC_3s=0.000eV SOC_4p=0.516eV F0_3s4p=18.86353eV G1_3s4p=1.05319eV F0_4p4p=14.62432eV F2_4p4p=7.82930eV Z=36 3s02 4p04 Kr2+ SOC_3s=0.000eV SOC_4p=0.465eV F0_3s4p=18.20322eV G1_3s4p=0.95845eV F0_4p4p=14.03682eV F2_4p4p=7.45748eV Z=36 3s02 4p05 Kr1+ SOC_3s=0.000eV SOC_4p=0.417eV F0_3s4p=17.50196eV G1_3s4p=0.86612eV F0_4p4p=13.39967eV F2_4p4p=7.04251eV Z=36 3s02 4p06 Kr0+ SOC_3s=0.000eV SOC_4p=0.371eV F0_3s4p=16.74017eV G1_3s4p=0.77456eV F0_4p4p=12.68998eV F2_4p4p=6.56931eV Z=36 3s01 4p00 Kr7+ SOC_3s=0.000eV Z=36 3s01 4p01 Kr6+ SOC_3s=0.000eV SOC_4p=0.749eV F0_3s4p=21.33957eV G1_3s4p=1.42355eV Z=36 3s01 4p02 Kr5+ SOC_3s=0.000eV SOC_4p=0.692eV F0_3s4p=20.78628eV G1_3s4p=1.32914eV F0_4p4p=16.24483eV F2_4p4p=8.75067eV Z=36 3s01 4p03 Kr4+ SOC_3s=0.000eV SOC_4p=0.637eV F0_3s4p=20.21749eV G1_3s4p=1.23683eV F0_4p4p=15.74681eV F2_4p4p=8.45310eV Z=36 3s01 4p04 Kr3+ SOC_3s=0.000eV SOC_4p=0.583eV F0_3s4p=19.62506eV G1_3s4p=1.14449eV F0_4p4p=15.22325eV F2_4p4p=8.13197eV Z=36 3s01 4p05 Kr2+ SOC_3s=0.000eV SOC_4p=0.532eV F0_3s4p=19.00398eV G1_3s4p=1.05260eV F0_4p4p=14.66715eV F2_4p4p=7.78155eV Z=36 3s01 4p06 Kr1+ SOC_3s=0.000eV SOC_4p=0.483eV F0_3s4p=18.34942eV G1_3s4p=0.96325eV F0_4p4p=14.06854eV F2_4p4p=7.39270eV Z=36 2p06 4p00 Kr6+ SOC_2p=34.787eV Z=36 2p06 4p01 Kr5+ SOC_2p=34.782eV SOC_4p=0.623eV F0_2p4p=21.77992eV G0_2p4p=0.54404eV F2_2p4p=1.61242eV G2_2p4p=0.60927eV Z=36 2p06 4p02 Kr4+ SOC_2p=34.778eV SOC_4p=0.568eV F0_2p4p=21.03469eV G0_2p4p=0.49722eV F2_2p4p=1.48278eV G2_2p4p=0.55642eV F0_4p4p=15.17434eV F2_4p4p=8.16821eV Z=36 2p06 4p03 Kr3+ SOC_2p=34.775eV SOC_4p=0.516eV F0_2p4p=20.26793eV G0_2p4p=0.45201eV F2_2p4p=1.35663eV G2_2p4p=0.50547eV F0_4p4p=14.62432eV F2_4p4p=7.82930eV Z=36 2p06 4p04 Kr2+ SOC_2p=34.773eV SOC_4p=0.465eV F0_2p4p=19.47176eV G0_2p4p=0.40824eV F2_2p4p=1.23354eV G2_2p4p=0.45622eV F0_4p4p=14.03682eV F2_4p4p=7.45748eV Z=36 2p06 4p05 Kr1+ SOC_2p=34.771eV SOC_4p=0.417eV F0_2p4p=18.64102eV G0_2p4p=0.36656eV F2_2p4p=1.11505eV G2_2p4p=0.40942eV F0_4p4p=13.39967eV F2_4p4p=7.04251eV Z=36 2p06 4p06 Kr0+ SOC_2p=34.771eV SOC_4p=0.371eV F0_2p4p=17.75332eV G0_2p4p=0.32604eV F2_2p4p=0.99884eV G2_2p4p=0.36400eV F0_4p4p=12.68998eV F2_4p4p=6.56931eV Z=36 2p05 4p00 Kr7+ SOC_2p=35.751eV Z=36 2p05 4p01 Kr6+ SOC_2p=35.744eV SOC_4p=0.757eV F0_2p4p=23.48992eV G0_2p4p=0.64337eV F2_2p4p=1.89102eV G2_2p4p=0.72207eV Z=36 2p05 4p02 Kr5+ SOC_2p=35.739eV SOC_4p=0.698eV F0_2p4p=22.78241eV G0_2p4p=0.59462eV F2_2p4p=1.75710eV G2_2p4p=0.66674eV F0_4p4p=16.39124eV F2_4p4p=8.84057eV Z=36 2p05 4p03 Kr4+ SOC_2p=35.734eV SOC_4p=0.643eV F0_2p4p=22.06629eV G0_2p4p=0.54825eV F2_2p4p=1.62870eV G2_2p4p=0.61424eV F0_4p4p=15.88769eV F2_4p4p=8.53797eV Z=36 2p05 4p04 Kr3+ SOC_2p=35.731eV SOC_4p=0.589eV F0_2p4p=21.32973eV G0_2p4p=0.50304eV F2_2p4p=1.50289eV G2_2p4p=0.56318eV F0_4p4p=15.35817eV F2_4p4p=8.21143eV Z=36 2p05 4p05 Kr2+ SOC_2p=35.729eV SOC_4p=0.536eV F0_2p4p=20.56804eV G0_2p4p=0.45914eV F2_2p4p=1.37994eV G2_2p4p=0.51370eV F0_4p4p=14.79556eV F2_4p4p=7.85522eV Z=36 2p05 4p06 Kr1+ SOC_2p=35.727eV SOC_4p=0.487eV F0_2p4p=19.77887eV G0_2p4p=0.41744eV F2_2p4p=1.26189eV G2_2p4p=0.46679eV F0_4p4p=14.18966eV F2_4p4p=7.46013eV Z=36 3p06 4p00 Kr6+ SOC_3p=5.128eV Z=36 3p06 4p01 Kr5+ SOC_3p=5.122eV SOC_4p=0.623eV F0_3p4p=20.05937eV G0_3p4p=1.11048eV F2_3p4p=4.52158eV G2_3p4p=1.32856eV Z=36 3p06 4p02 Kr4+ SOC_3p=5.118eV SOC_4p=0.568eV F0_3p4p=19.46170eV G0_3p4p=1.02678eV F2_3p4p=4.23713eV G2_3p4p=1.22258eV F0_4p4p=15.17434eV F2_4p4p=8.16821eV Z=36 3p06 4p03 Kr3+ SOC_3p=5.116eV SOC_4p=0.516eV F0_3p4p=18.83780eV G0_3p4p=0.94346eV F2_3p4p=3.95078eV G2_3p4p=1.11807eV F0_4p4p=14.62432eV F2_4p4p=7.82930eV Z=36 3p06 4p04 Kr2+ SOC_3p=5.114eV SOC_4p=0.465eV F0_3p4p=18.18015eV G0_3p4p=0.86032eV F2_3p4p=3.66183eV G2_3p4p=1.01506eV F0_4p4p=14.03682eV F2_4p4p=7.45748eV Z=36 3p06 4p05 Kr1+ SOC_3p=5.114eV SOC_4p=0.417eV F0_3p4p=17.48144eV G0_3p4p=0.77911eV F2_3p4p=3.37138eV G2_3p4p=0.91510eV F0_4p4p=13.39967eV F2_4p4p=7.04251eV Z=36 3p06 4p06 Kr0+ SOC_3p=5.114eV SOC_4p=0.371eV F0_3p4p=16.72208eV G0_3p4p=0.69790eV F2_3p4p=3.07651eV G2_3p4p=0.81687eV F0_4p4p=12.68998eV F2_4p4p=6.56931eV Z=36 3p05 4p00 Kr7+ SOC_3p=5.274eV Z=36 3p05 4p01 Kr6+ SOC_3p=5.266eV SOC_4p=0.750eV F0_3p4p=21.29710eV G0_3p4p=1.28617eV F2_3p4p=5.08366eV G2_3p4p=1.53358eV Z=36 3p05 4p02 Kr5+ SOC_3p=5.261eV SOC_4p=0.693eV F0_3p4p=20.74777eV G0_3p4p=1.20438eV F2_3p4p=4.80965eV G2_3p4p=1.42924eV F0_4p4p=16.23060eV F2_4p4p=8.73892eV Z=36 3p05 4p03 Kr4+ SOC_3p=5.256eV SOC_4p=0.637eV F0_3p4p=20.18054eV G0_3p4p=1.12316eV F2_3p4p=4.53456eV G2_3p4p=1.32631eV F0_4p4p=15.73223eV F2_4p4p=8.44157eV Z=36 3p05 4p04 Kr3+ SOC_3p=5.253eV SOC_4p=0.584eV F0_3p4p=19.58967eV G0_3p4p=1.04149eV F2_3p4p=4.25709eV G2_3p4p=1.22412eV F0_4p4p=15.20835eV F2_4p4p=8.12063eV Z=36 3p05 4p05 Kr2+ SOC_3p=5.252eV SOC_4p=0.533eV F0_3p4p=18.97175eV G0_3p4p=0.96089eV F2_3p4p=3.97834eV G2_3p4p=1.12401eV F0_4p4p=14.65237eV F2_4p4p=7.76987eV Z=36 3p05 4p06 Kr1+ SOC_3p=5.251eV SOC_4p=0.483eV F0_3p4p=18.31611eV G0_3p4p=0.87971eV F2_3p4p=3.69625eV G2_3p4p=1.02489eV F0_4p4p=14.05286eV F2_4p4p=7.38202eV Z=39 1s02 4d00 Y3+ SOC_1s=0.000eV Z=39 1s02 4d01 Y2+ SOC_1s=0.000eV SOC_4d=0.037eV F0_1s4d=15.90290eV G2_1s4d=0.01098eV Z=39 1s01 4d00 Y4+ SOC_1s=0.000eV Z=39 1s01 4d01 Y3+ SOC_1s=0.000eV SOC_4d=0.062eV F0_1s4d=19.09836eV G2_1s4d=0.01818eV Z=39 1s01 4d02 Y2+ SOC_1s=0.000eV SOC_4d=0.052eV F0_1s4d=17.71794eV G2_1s4d=0.01521eV F0_4d4d=12.35252eV F2_4d4d=6.21938eV F4_4d4d=4.04058eV Z=39 2s02 4d00 Y3+ SOC_2s=0.000eV Z=39 2s02 4d01 Y2+ SOC_2s=0.000eV SOC_4d=0.037eV F0_2s4d=15.80120eV G2_2s4d=0.58871eV Z=39 2s01 4d00 Y4+ SOC_2s=0.000eV Z=39 2s01 4d01 Y3+ SOC_2s=0.000eV SOC_4d=0.062eV F0_2s4d=19.01102eV G2_2s4d=0.91976eV Z=39 2s01 4d02 Y2+ SOC_2s=0.000eV SOC_4d=0.052eV F0_2s4d=17.67067eV G2_2s4d=0.77206eV F0_4d4d=12.42621eV F2_4d4d=6.26328eV F4_4d4d=4.07160eV Z=39 3s02 4d00 Y3+ SOC_3s=0.000eV Z=39 3s02 4d01 Y2+ SOC_3s=0.000eV SOC_4d=0.037eV F0_3s4d=15.07211eV G2_3s4d=0.41334eV Z=39 3s01 4d00 Y4+ SOC_3s=0.000eV Z=39 3s01 4d01 Y3+ SOC_3s=0.000eV SOC_4d=0.059eV F0_3s4d=17.74590eV G2_3s4d=0.59711eV Z=39 3s01 4d02 Y2+ SOC_3s=0.000eV SOC_4d=0.049eV F0_3s4d=16.59219eV G2_3s4d=0.50507eV F0_4d4d=12.30397eV F2_4d4d=6.20521eV F4_4d4d=4.03767eV Z=39 2p06 4d00 Y3+ SOC_2p=49.865eV Z=39 2p06 4d01 Y2+ SOC_2p=49.865eV SOC_4d=0.037eV F0_2p4d=15.82824eV G1_2p4d=0.63461eV F2_2p4d=0.81568eV G3_2p4d=0.36663eV Z=39 2p05 4d00 Y4+ SOC_2p=51.131eV Z=39 2p05 4d01 Y3+ SOC_2p=51.131eV SOC_4d=0.062eV F0_2p4d=19.04966eV G1_2p4d=0.98754eV F2_2p4d=1.23328eV G3_2p4d=0.57230eV Z=39 2p05 4d02 Y2+ SOC_2p=51.131eV SOC_4d=0.052eV F0_2p4d=17.70136eV G1_2p4d=0.82921eV F2_2p4d=1.04477eV G3_2p4d=0.48045eV F0_4d4d=12.41929eV F2_4d4d=6.25872eV F4_4d4d=4.06830eV Z=39 3p06 4d00 Y3+ SOC_3p=7.841eV Z=39 3p06 4d01 Y2+ SOC_3p=7.837eV SOC_4d=0.037eV F0_3p4d=15.06615eV G1_3p4d=0.46020eV F2_3p4d=2.06815eV G3_3p4d=0.42379eV Z=39 3p05 4d00 Y4+ SOC_3p=8.036eV Z=39 3p05 4d01 Y3+ SOC_3p=8.029eV SOC_4d=0.059eV F0_3p4d=17.72980eV G1_3p4d=0.66127eV F2_3p4d=2.92924eV G3_3p4d=0.62784eV Z=39 3p05 4d02 Y2+ SOC_3p=8.025eV SOC_4d=0.049eV F0_3p4d=16.57785eV G1_3p4d=0.56021eV F2_3p4d=2.54574eV G3_3p4d=0.52986eV F0_4d4d=12.29676eV F2_4d4d=6.20172eV F4_4d4d=4.03546eV Z=40 1s02 4d00 Zr4+ SOC_1s=0.000eV Z=40 1s02 4d01 Zr3+ SOC_1s=0.000eV SOC_4d=0.062eV F0_1s4d=19.02245eV G2_1s4d=0.01692eV Z=40 1s02 4d02 Zr2+ SOC_1s=0.000eV SOC_4d=0.052eV F0_1s4d=17.62980eV G2_1s4d=0.01409eV F0_4d4d=12.29555eV F2_4d4d=6.19039eV F4_4d4d=4.02104eV Z=40 1s01 4d00 Zr5+ SOC_1s=0.000eV Z=40 1s01 4d01 Zr4+ SOC_1s=0.000eV SOC_4d=0.091eV F0_1s4d=21.78230eV G2_1s4d=0.02474eV Z=40 1s01 4d02 Zr3+ SOC_1s=0.000eV SOC_4d=0.080eV F0_1s4d=20.60315eV G2_1s4d=0.02159eV F0_4d4d=14.39038eV F2_4d4d=7.36704eV F4_4d4d=4.83949eV Z=40 1s01 4d03 Zr2+ SOC_1s=0.000eV SOC_4d=0.069eV F0_1s4d=19.31374eV G2_1s4d=0.01853eV F0_4d4d=13.41818eV F2_4d4d=6.75405eV F4_4d4d=4.39510eV Z=40 2s02 4d00 Zr4+ SOC_2s=0.000eV Z=40 2s02 4d01 Zr3+ SOC_2s=0.000eV SOC_4d=0.062eV F0_2s4d=18.86816eV G2_2s4d=0.88031eV Z=40 2s02 4d02 Zr2+ SOC_2s=0.000eV SOC_4d=0.052eV F0_2s4d=17.50123eV G2_2s4d=0.73472eV F0_4d4d=12.29555eV F2_4d4d=6.19039eV F4_4d4d=4.02104eV Z=40 2s01 4d00 Zr5+ SOC_2s=0.000eV Z=40 2s01 4d01 Zr4+ SOC_2s=0.000eV SOC_4d=0.090eV F0_2s4d=21.61033eV G2_2s4d=1.21119eV Z=40 2s01 4d02 Zr3+ SOC_2s=0.000eV SOC_4d=0.079eV F0_2s4d=20.47202eV G2_2s4d=1.06181eV F0_4d4d=14.44345eV F2_4d4d=7.39956eV F4_4d4d=4.86307eV Z=40 2s01 4d03 Zr2+ SOC_2s=0.000eV SOC_4d=0.068eV F0_2s4d=19.22438eV G2_2s4d=0.91537eV F0_4d4d=13.48152eV F2_4d4d=6.79240eV F4_4d4d=4.42250eV Z=40 3s02 4d00 Zr4+ SOC_3s=0.000eV Z=40 3s02 4d01 Zr3+ SOC_3s=0.000eV SOC_4d=0.062eV F0_3s4d=17.79716eV G2_3s4d=0.57908eV Z=40 3s02 4d02 Zr2+ SOC_3s=0.000eV SOC_4d=0.052eV F0_3s4d=16.60618eV G2_3s4d=0.48724eV F0_4d4d=12.29555eV F2_4d4d=6.19039eV F4_4d4d=4.02104eV Z=40 3s01 4d00 Zr5+ SOC_3s=0.000eV Z=40 3s01 4d01 Zr4+ SOC_3s=0.000eV SOC_4d=0.086eV F0_3s4d=20.00085eV G2_3s4d=0.74490eV Z=40 3s01 4d02 Zr3+ SOC_3s=0.000eV SOC_4d=0.075eV F0_3s4d=19.04700eV G2_3s4d=0.65874eV F0_4d4d=14.29956eV F2_4d4d=7.32526eV F4_4d4d=4.81832eV Z=40 3s01 4d03 Zr2+ SOC_3s=0.000eV SOC_4d=0.065eV F0_3s4d=17.98652eV G2_3s4d=0.57330eV F0_4d4d=13.35295eV F2_4d4d=6.72843eV F4_4d4d=4.38466eV Z=40 2p06 4d00 Zr4+ SOC_2p=55.883eV Z=40 2p06 4d01 Zr3+ SOC_2p=55.883eV SOC_4d=0.062eV F0_2p4d=18.90926eV G1_2p4d=0.94941eV F2_2p4d=1.19248eV G3_2p4d=0.54936eV Z=40 2p06 4d02 Zr2+ SOC_2p=55.884eV SOC_4d=0.052eV F0_2p4d=17.53548eV G1_2p4d=0.79234eV F2_2p4d=1.00443eV G3_2p4d=0.45838eV F0_4d4d=12.29555eV F2_4d4d=6.19039eV F4_4d4d=4.02104eV Z=40 2p05 4d00 Zr5+ SOC_2p=57.268eV Z=40 2p05 4d01 Zr4+ SOC_2p=57.267eV SOC_4d=0.090eV F0_2p4d=21.66909eV G1_2p4d=1.30261eV F2_2p4d=1.60054eV G3_2p4d=0.75599eV Z=40 2p05 4d02 Zr3+ SOC_2p=57.266eV SOC_4d=0.079eV F0_2p4d=20.52149eV G1_2p4d=1.14161eV F2_2p4d=1.41313eV G3_2p4d=0.66241eV F0_4d4d=14.43950eV F2_4d4d=7.39666eV F4_4d4d=4.86085eV Z=40 2p05 4d03 Zr2+ SOC_2p=57.267eV SOC_4d=0.068eV F0_2p4d=19.26455eV G1_2p4d=0.98384eV F2_2p4d=1.22722eV G3_2p4d=0.57076eV F0_4d4d=13.47623eV F2_4d4d=6.78876eV F4_4d4d=4.41980eV Z=40 3p06 4d00 Zr4+ SOC_3p=8.965eV Z=40 3p06 4d01 Zr3+ SOC_3p=8.958eV SOC_4d=0.062eV F0_3p4d=17.79183eV G1_3p4d=0.64207eV F2_3p4d=2.85389eV G3_3p4d=0.60655eV Z=40 3p06 4d02 Zr2+ SOC_3p=8.954eV SOC_4d=0.052eV F0_3p4d=16.60166eV G1_3p4d=0.54089eV F2_3p4d=2.46862eV G3_3p4d=0.50906eV F0_4d4d=12.29555eV F2_4d4d=6.19039eV F4_4d4d=4.02104eV Z=40 3p05 4d00 Zr5+ SOC_3p=9.184eV Z=40 3p05 4d01 Zr4+ SOC_3p=9.173eV SOC_4d=0.086eV F0_3p4d=19.98903eV G1_3p4d=0.82181eV F2_3p4d=3.64358eV G3_3p4d=0.79685eV Z=40 3p05 4d02 Zr3+ SOC_3p=9.166eV SOC_4d=0.075eV F0_3p4d=19.03570eV G1_3p4d=0.72790eV F2_3p4d=3.28921eV G3_3p4d=0.70316eV F0_4d4d=14.29286eV F2_4d4d=7.32180eV F4_4d4d=4.81608eV Z=40 3p05 4d03 Zr2+ SOC_3p=9.161eV SOC_4d=0.065eV F0_3p4d=17.97490eV G1_3p4d=0.63392eV F2_3p4d=2.92372eV G3_3p4d=0.61033eV F0_4d4d=13.34638eV F2_4d4d=6.72542eV F4_4d4d=4.38275eV Z=41 1s02 4d00 Nb5+ SOC_1s=0.000eV Z=41 1s02 4d01 Nb4+ SOC_1s=0.000eV SOC_4d=0.091eV F0_1s4d=21.71888eV G2_1s4d=0.02315eV Z=41 1s02 4d02 Nb3+ SOC_1s=0.000eV SOC_4d=0.079eV F0_1s4d=20.53670eV G2_1s4d=0.02019eV F0_4d4d=14.34189eV F2_4d4d=7.34062eV F4_4d4d=4.82149eV Z=41 1s02 4d03 Nb2+ SOC_1s=0.000eV SOC_4d=0.068eV F0_1s4d=19.23963eV G2_1s4d=0.01729eV F0_4d4d=13.36668eV F2_4d4d=6.72672eV F4_4d4d=4.37658eV Z=41 1s01 4d00 Nb6+ SOC_1s=0.000eV Z=41 1s01 4d01 Nb5+ SOC_1s=0.000eV SOC_4d=0.125eV F0_1s4d=24.24488eV G2_1s4d=0.03160eV Z=41 1s01 4d02 Nb4+ SOC_1s=0.000eV SOC_4d=0.112eV F0_1s4d=23.18178eV G2_1s4d=0.02830eV F0_4d4d=16.17357eV F2_4d4d=8.35083eV F4_4d4d=5.52631eV Z=41 1s01 4d03 Nb3+ SOC_1s=0.000eV SOC_4d=0.099eV F0_1s4d=22.05569eV G2_1s4d=0.02510eV F0_4d4d=15.35397eV F2_4d4d=7.84312eV F4_4d4d=5.15435eV Z=41 1s01 4d04 Nb2+ SOC_1s=0.000eV SOC_4d=0.087eV F0_1s4d=20.83954eV G2_1s4d=0.02199eV F0_4d4d=14.43300eV F2_4d4d=7.26009eV F4_4d4d=4.73042eV Z=41 2s02 4d00 Nb5+ SOC_2s=0.000eV Z=41 2s02 4d01 Nb4+ SOC_2s=0.000eV SOC_4d=0.091eV F0_2s4d=21.51097eV G2_2s4d=1.17038eV Z=41 2s02 4d02 Nb3+ SOC_2s=0.000eV SOC_4d=0.079eV F0_2s4d=20.35521eV G2_2s4d=1.02349eV F0_4d4d=14.34189eV F2_4d4d=7.34062eV F4_4d4d=4.82149eV Z=41 2s02 4d03 Nb2+ SOC_2s=0.000eV SOC_4d=0.068eV F0_2s4d=19.08413eV G2_2s4d=0.87824eV F0_4d4d=13.36668eV F2_4d4d=6.72672eV F4_4d4d=4.37658eV Z=41 2s01 4d00 Nb6+ SOC_2s=0.000eV Z=41 2s01 4d01 Nb5+ SOC_2s=0.000eV SOC_4d=0.122eV F0_2s4d=23.99534eV G2_2s4d=1.50351eV Z=41 2s01 4d02 Nb4+ SOC_2s=0.000eV SOC_4d=0.110eV F0_2s4d=22.97077eV G2_2s4d=1.35169eV F0_4d4d=16.21119eV F2_4d4d=8.37512eV F4_4d4d=5.54441eV Z=41 2s01 4d03 Nb3+ SOC_2s=0.000eV SOC_4d=0.098eV F0_2s4d=21.88304eV G2_2s4d=1.20331eV F0_4d4d=15.39863eV F2_4d4d=7.87148eV F4_4d4d=5.17519eV Z=41 2s01 4d04 Nb2+ SOC_2s=0.000eV SOC_4d=0.086eV F0_2s4d=20.70582eV G2_2s4d=1.05818eV F0_4d4d=14.48601eV F2_4d4d=7.29329eV F4_4d4d=4.75446eV Z=41 3s02 4d00 Nb5+ SOC_3s=0.000eV Z=41 3s02 4d01 Nb4+ SOC_3s=0.000eV SOC_4d=0.091eV F0_3s4d=20.10971eV G2_3s4d=0.72954eV Z=41 3s02 4d02 Nb3+ SOC_3s=0.000eV SOC_4d=0.079eV F0_3s4d=19.12806eV G2_3s4d=0.64297eV F0_4d4d=14.34189eV F2_4d4d=7.34062eV F4_4d4d=4.82149eV Z=41 3s02 4d03 Nb2+ SOC_3s=0.000eV SOC_4d=0.068eV F0_3s4d=18.02994eV G2_3s4d=0.55556eV F0_4d4d=13.36668eV F2_4d4d=6.72672eV F4_4d4d=4.37658eV Z=41 3s01 4d00 Nb6+ SOC_3s=0.000eV Z=41 3s01 4d01 Nb5+ SOC_3s=0.000eV SOC_4d=0.117eV F0_3s4d=22.05169eV G2_3s4d=0.88412eV Z=41 3s01 4d02 Nb4+ SOC_3s=0.000eV SOC_4d=0.105eV F0_3s4d=21.20900eV G2_3s4d=0.80125eV F0_4d4d=16.05078eV F2_4d4d=8.28888eV F4_4d4d=5.49155eV Z=41 3s01 4d03 Nb3+ SOC_3s=0.000eV SOC_4d=0.094eV F0_3s4d=20.30168eV G2_3s4d=0.71841eV F0_4d4d=15.24970eV F2_4d4d=7.79448eV F4_4d4d=5.12872eV Z=41 3s01 4d04 Nb2+ SOC_3s=0.000eV SOC_4d=0.082eV F0_3s4d=19.30504eV G2_3s4d=0.63612eV F0_4d4d=14.35096eV F2_4d4d=7.22635eV F4_4d4d=4.71477eV Z=41 2p06 4d00 Nb5+ SOC_2p=62.451eV Z=41 2p06 4d01 Nb4+ SOC_2p=62.451eV SOC_4d=0.091eV F0_2p4d=21.56643eV G1_2p4d=1.26304eV F2_2p4d=1.55955eV G3_2p4d=0.73191eV Z=41 2p06 4d02 Nb3+ SOC_2p=62.450eV SOC_4d=0.079eV F0_2p4d=20.40362eV G1_2p4d=1.10442eV F2_2p4d=1.37379eV G3_2p4d=0.63986eV F0_4d4d=14.34189eV F2_4d4d=7.34062eV F4_4d4d=4.82149eV Z=41 2p06 4d03 Nb2+ SOC_2p=62.451eV SOC_4d=0.068eV F0_2p4d=19.12561eV G1_2p4d=0.94762eV F2_2p4d=1.18814eV G3_2p4d=0.54892eV F0_4d4d=13.36668eV F2_4d4d=6.72672eV F4_4d4d=4.37658eV Z=41 2p05 4d00 Nb6+ SOC_2p=63.962eV Z=41 2p05 4d01 Nb5+ SOC_2p=63.960eV SOC_4d=0.123eV F0_2p4d=24.07230eV G1_2p4d=1.61880eV F2_2p4d=1.96352eV G3_2p4d=0.94080eV Z=41 2p05 4d02 Nb4+ SOC_2p=63.958eV SOC_4d=0.111eV F0_2p4d=23.03868eV G1_2p4d=1.45501eV F2_2p4d=1.77596eV G3_2p4d=0.84540eV F0_4d4d=16.20930eV F2_4d4d=8.37328eV F4_4d4d=5.54288eV Z=41 2p05 4d03 Nb3+ SOC_2p=63.958eV SOC_4d=0.098eV F0_2p4d=21.94211eV G1_2p4d=1.29499eV F2_2p4d=1.59093eV G3_2p4d=0.75228eV F0_4d4d=15.39589eV F2_4d4d=7.86916eV F4_4d4d=5.17335eV Z=41 2p05 4d04 Nb2+ SOC_2p=63.958eV SOC_4d=0.086eV F0_2p4d=20.75592eV G1_2p4d=1.13852eV F2_2p4d=1.40795eV G3_2p4d=0.66127eV F0_4d4d=14.48215eV F2_4d4d=7.29035eV F4_4d4d=4.75220eV Z=41 3p06 4d00 Nb5+ SOC_3p=10.212eV Z=41 3p06 4d01 Nb4+ SOC_3p=10.202eV SOC_4d=0.091eV F0_3p4d=20.10667eV G1_3p4d=0.80559eV F2_3p4d=3.57564eV G3_3p4d=0.77722eV Z=41 3p06 4d02 Nb3+ SOC_3p=10.194eV SOC_4d=0.079eV F0_3p4d=19.12525eV G1_3p4d=0.71094eV F2_3p4d=3.21876eV G3_3p4d=0.68341eV F0_4d4d=14.34189eV F2_4d4d=7.34062eV F4_4d4d=4.82149eV Z=41 3p06 4d03 Nb2+ SOC_3p=10.190eV SOC_4d=0.068eV F0_3p4d=18.02744eV G1_3p4d=0.61497eV F2_3p4d=2.84887eV G3_3p4d=0.58938eV F0_4d4d=13.36668eV F2_4d4d=6.72672eV F4_4d4d=4.37658eV Z=41 3p05 4d00 Nb6+ SOC_3p=10.454eV Z=41 3p05 4d01 Nb5+ SOC_3p=10.439eV SOC_4d=0.117eV F0_3p4d=22.04444eV G1_3p4d=0.97120eV F2_3p4d=4.32082eV G3_3p4d=0.95829eV Z=41 3p05 4d02 Nb4+ SOC_3p=10.428eV SOC_4d=0.105eV F0_3p4d=21.20145eV G1_3p4d=0.88149eV F2_3p4d=3.98288eV G3_3p4d=0.86670eV F0_4d4d=16.04468eV F2_4d4d=8.28591eV F4_4d4d=5.48962eV Z=41 3p05 4d03 Nb3+ SOC_3p=10.420eV SOC_4d=0.094eV F0_3p4d=20.29402eV G1_3p4d=0.79138eV F2_3p4d=3.63801eV G3_3p4d=0.77567eV F0_4d4d=15.24375eV F2_4d4d=7.79160eV F4_4d4d=5.12686eV Z=41 3p05 4d04 Nb2+ SOC_3p=10.415eV SOC_4d=0.082eV F0_3p4d=19.29780eV G1_3p4d=0.70163eV F2_3p4d=3.28453eV G3_3p4d=0.68579eV F0_4d4d=14.34531eV F2_4d4d=7.22354eV F4_4d4d=4.71296eV Z=42 1s02 4d00 Mo6+ SOC_1s=0.000eV Z=42 1s02 4d01 Mo5+ SOC_1s=0.000eV SOC_4d=0.124eV F0_1s4d=24.18271eV G2_1s4d=0.02962eV Z=42 1s02 4d02 Mo4+ SOC_1s=0.000eV SOC_4d=0.111eV F0_1s4d=23.12065eV G2_1s4d=0.02653eV F0_4d4d=16.12918eV F2_4d4d=8.32677eV F4_4d4d=5.50988eV Z=42 1s02 4d03 Mo3+ SOC_1s=0.000eV SOC_4d=0.099eV F0_1s4d=21.99516eV G2_1s4d=0.02354eV F0_4d4d=15.30796eV F2_4d4d=7.81749eV F4_4d4d=5.13684eV Z=42 1s02 4d04 Mo2+ SOC_1s=0.000eV SOC_4d=0.086eV F0_1s4d=20.76915eV G2_1s4d=0.02057eV F0_4d4d=14.38397eV F2_4d4d=7.23404eV F4_4d4d=4.71274eV Z=42 1s02 4d05 Mo1+ SOC_1s=0.000eV SOC_4d=0.075eV F0_1s4d=19.41644eV G2_1s4d=0.01774eV F0_4d4d=13.30651eV F2_4d4d=6.54074eV F4_4d4d=4.21472eV Z=42 1s01 4d00 Mo7+ SOC_1s=0.000eV Z=42 1s01 4d01 Mo6+ SOC_1s=0.000eV SOC_4d=0.163eV F0_1s4d=26.56878eV G2_1s4d=0.03878eV Z=42 1s01 4d02 Mo5+ SOC_1s=0.000eV SOC_4d=0.149eV F0_1s4d=25.57871eV G2_1s4d=0.03530eV F0_4d4d=17.81243eV F2_4d4d=9.24026eV F4_4d4d=6.14749eV Z=42 1s01 4d03 Mo4+ SOC_1s=0.000eV SOC_4d=0.135eV F0_1s4d=24.54903eV G2_1s4d=0.03194eV F0_4d4d=17.08252eV F2_4d4d=8.79724eV F4_4d4d=5.82093eV Z=42 1s01 4d04 Mo3+ SOC_1s=0.000eV SOC_4d=0.122eV F0_1s4d=23.46596eV G2_1s4d=0.02869eV F0_4d4d=16.29026eV F2_4d4d=8.30487eV F4_4d4d=5.45958eV Z=42 1s01 4d05 Mo2+ SOC_1s=0.000eV SOC_4d=0.108eV F0_1s4d=22.30818eV G2_1s4d=0.02555eV F0_4d4d=15.40900eV F2_4d4d=7.74497eV F4_4d4d=5.05152eV Z=42 1s01 4d06 Mo1+ SOC_1s=0.000eV SOC_4d=0.096eV F0_1s4d=21.04264eV G2_1s4d=0.02252eV F0_4d4d=14.39478eV F2_4d4d=7.08878eV F4_4d4d=4.57848eV Z=42 2s02 4d00 Mo6+ SOC_2s=0.000eV Z=42 2s02 4d01 Mo5+ SOC_2s=0.000eV SOC_4d=0.124eV F0_2s4d=23.92045eV G2_2s4d=1.45790eV Z=42 2s02 4d02 Mo4+ SOC_2s=0.000eV SOC_4d=0.111eV F0_2s4d=22.88550eV G2_2s4d=1.30970eV F0_4d4d=16.12918eV F2_4d4d=8.32677eV F4_4d4d=5.50988eV Z=42 2s02 4d03 Mo3+ SOC_2s=0.000eV SOC_4d=0.099eV F0_2s4d=21.78633eV G2_2s4d=1.16499eV F0_4d4d=15.30796eV F2_4d4d=7.81749eV F4_4d4d=5.13684eV Z=42 2s02 4d04 Mo2+ SOC_2s=0.000eV SOC_4d=0.086eV F0_2s4d=20.58656eV G2_2s4d=1.01996eV F0_4d4d=14.38397eV F2_4d4d=7.23404eV F4_4d4d=4.71274eV Z=42 2s02 4d05 Mo1+ SOC_2s=0.000eV SOC_4d=0.075eV F0_2s4d=19.25893eV G2_2s4d=0.88082eV F0_4d4d=13.30651eV F2_4d4d=6.54074eV F4_4d4d=4.21472eV Z=42 2s01 4d00 Mo7+ SOC_2s=0.000eV Z=42 2s01 4d01 Mo6+ SOC_2s=0.000eV SOC_4d=0.160eV F0_2s4d=26.24468eV G2_2s4d=1.79684eV Z=42 2s01 4d02 Mo5+ SOC_2s=0.000eV SOC_4d=0.147eV F0_2s4d=25.29333eV G2_2s4d=1.64227eV F0_4d4d=17.83921eV F2_4d4d=9.25879eV F4_4d4d=6.16170eV Z=42 2s01 4d03 Mo4+ SOC_2s=0.000eV SOC_4d=0.133eV F0_2s4d=24.30173eV G2_2s4d=1.49130eV F0_4d4d=17.11525eV F2_4d4d=8.81915eV F4_4d4d=5.83747eV Z=42 2s01 4d04 Mo3+ SOC_2s=0.000eV SOC_4d=0.120eV F0_2s4d=23.25601eV G2_2s4d=1.34391eV F0_4d4d=16.32922eV F2_4d4d=8.33037eV F4_4d4d=5.47854eV Z=42 2s01 4d05 Mo2+ SOC_2s=0.000eV SOC_4d=0.107eV F0_2s4d=22.14021eV G2_2s4d=1.20226eV F0_4d4d=15.45573eV F2_4d4d=7.77406eV F4_4d4d=5.07280eV Z=42 2s01 4d06 Mo1+ SOC_2s=0.000eV SOC_4d=0.094eV F0_2s4d=20.90706eV G2_2s4d=1.06123eV F0_4d4d=14.44932eV F2_4d4d=7.12332eV F4_4d4d=4.60332eV Z=42 3s02 4d00 Mo6+ SOC_3s=0.000eV Z=42 3s02 4d01 Mo5+ SOC_3s=0.000eV SOC_4d=0.124eV F0_3s4d=22.20006eV G2_3s4d=0.86965eV Z=42 3s02 4d02 Mo4+ SOC_3s=0.000eV SOC_4d=0.111eV F0_3s4d=21.33764eV G2_3s4d=0.78692eV F0_4d4d=16.12918eV F2_4d4d=8.32677eV F4_4d4d=5.50988eV Z=42 3s02 4d03 Mo3+ SOC_3s=0.000eV SOC_4d=0.099eV F0_3s4d=20.40777eV G2_3s4d=0.70437eV F0_4d4d=15.30796eV F2_4d4d=7.81749eV F4_4d4d=5.13684eV Z=42 3s02 4d04 Mo2+ SOC_3s=0.000eV SOC_4d=0.086eV F0_3s4d=19.37843eV G2_3s4d=0.62041eV F0_4d4d=14.38397eV F2_4d4d=7.23404eV F4_4d4d=4.71274eV Z=42 3s02 4d05 Mo1+ SOC_3s=0.000eV SOC_4d=0.075eV F0_3s4d=18.21487eV G2_3s4d=0.53810eV F0_4d4d=13.30651eV F2_4d4d=6.54074eV F4_4d4d=4.21472eV Z=42 3s01 4d00 Mo7+ SOC_3s=0.000eV Z=42 3s01 4d01 Mo6+ SOC_3s=0.000eV SOC_4d=0.153eV F0_3s4d=23.97328eV G2_3s4d=1.01823eV Z=42 3s01 4d02 Mo5+ SOC_3s=0.000eV SOC_4d=0.140eV F0_3s4d=23.20298eV G2_3s4d=0.93765eV F0_4d4d=17.66496eV F2_4d4d=9.16250eV F4_4d4d=6.10190eV Z=42 3s01 4d03 Mo4+ SOC_3s=0.000eV SOC_4d=0.127eV F0_3s4d=22.39051eV G2_3s4d=0.85726eV F0_4d4d=16.95055eV F2_4d4d=8.73077eV F4_4d4d=5.78324eV Z=42 3s01 4d04 Mo3+ SOC_3s=0.000eV SOC_4d=0.115eV F0_3s4d=21.52196eV G2_3s4d=0.77733eV F0_4d4d=16.17528eV F2_4d4d=8.25046eV F4_4d4d=5.43017eV Z=42 3s01 4d05 Mo2+ SOC_3s=0.000eV SOC_4d=0.102eV F0_3s4d=20.57843eV G2_3s4d=0.69858eV F0_4d4d=15.31420eV F2_4d4d=7.70374eV F4_4d4d=5.03095eV Z=42 3s01 4d06 Mo1+ SOC_3s=0.000eV SOC_4d=0.090eV F0_3s4d=19.51827eV G2_3s4d=0.61880eV F0_4d4d=14.32262eV F2_4d4d=7.06439eV F4_4d4d=4.56907eV Z=42 2p06 4d00 Mo6+ SOC_2p=69.606eV Z=42 2p06 4d01 Mo5+ SOC_2p=69.603eV SOC_4d=0.124eV F0_2p4d=23.99046eV G1_2p4d=1.57445eV F2_2p4d=1.91879eV G3_2p4d=0.91365eV Z=42 2p06 4d02 Mo4+ SOC_2p=69.602eV SOC_4d=0.111eV F0_2p4d=22.94827eV G1_2p4d=1.41426eV F2_2p4d=1.73412eV G3_2p4d=0.82050eV F0_4d4d=16.12918eV F2_4d4d=8.32677eV F4_4d4d=5.50988eV Z=42 2p06 4d03 Mo3+ SOC_2p=69.602eV SOC_4d=0.099eV F0_2p4d=21.84207eV G1_2p4d=1.25791eV F2_2p4d=1.55209eV G3_2p4d=0.72964eV F0_4d4d=15.30796eV F2_4d4d=7.81749eV F4_4d4d=5.13684eV Z=42 2p06 4d04 Mo2+ SOC_2p=69.602eV SOC_4d=0.086eV F0_2p4d=20.63531eV G1_2p4d=1.10123eV F2_2p4d=1.36827eV G3_2p4d=0.63866eV F0_4d4d=14.38397eV F2_4d4d=7.23404eV F4_4d4d=4.71274eV Z=42 2p06 4d05 Mo1+ SOC_2p=69.603eV SOC_4d=0.075eV F0_2p4d=19.30098eV G1_2p4d=0.95095eV F2_2p4d=1.18919eV G3_2p4d=0.55143eV F0_4d4d=13.30651eV F2_4d4d=6.54074eV F4_4d4d=4.21472eV Z=42 2p05 4d00 Mo7+ SOC_2p=71.250eV Z=42 2p05 4d01 Mo6+ SOC_2p=71.246eV SOC_4d=0.161eV F0_2p4d=26.34016eV G1_2p4d=1.93684eV F2_2p4d=2.32441eV G3_2p4d=1.12710eV Z=42 2p05 4d02 Mo5+ SOC_2p=71.244eV SOC_4d=0.147eV F0_2p4d=25.37950eV G1_2p4d=1.76984eV F2_2p4d=2.13569eV G3_2p4d=1.02966eV F0_4d4d=17.83905eV F2_4d4d=9.25783eV F4_4d4d=6.16076eV Z=42 2p05 4d03 Mo4+ SOC_2p=71.243eV SOC_4d=0.134eV F0_2p4d=24.37876eV G1_2p4d=1.60679eV F2_2p4d=1.94993eV G3_2p4d=0.93459eV F0_4d4d=17.11424eV F2_4d4d=8.81772eV F4_4d4d=5.83621eV Z=42 2p05 4d04 Mo3+ SOC_2p=71.242eV SOC_4d=0.120eV F0_2p4d=23.32392eV G1_2p4d=1.44760eV F2_2p4d=1.76689eV G3_2p4d=0.84183eV F0_4d4d=16.32730eV F2_4d4d=8.32848eV F4_4d4d=5.47697eV Z=42 2p05 4d05 Mo2+ SOC_2p=71.242eV SOC_4d=0.107eV F0_2p4d=22.19825eV G1_2p4d=1.29422eV F2_2p4d=1.58835eV G3_2p4d=0.75252eV F0_4d4d=15.45269eV F2_4d4d=7.77177eV F4_4d4d=5.07098eV Z=42 2p05 4d06 Mo1+ SOC_2p=71.243eV SOC_4d=0.095eV F0_2p4d=20.95899eV G1_2p4d=1.14323eV F2_2p4d=1.41064eV G3_2p4d=0.66465eV F0_4d4d=14.44540eV F2_4d4d=7.12003eV F4_4d4d=4.60083eV Z=42 3p06 4d00 Mo6+ SOC_3p=11.590eV Z=42 3p06 4d01 Mo5+ SOC_3p=11.574eV SOC_4d=0.124eV F0_3p4d=22.20061eV G1_3p4d=0.95620eV F2_3p4d=4.25757eV G3_3p4d=0.93902eV Z=42 3p06 4d02 Mo4+ SOC_3p=11.563eV SOC_4d=0.111eV F0_3p4d=21.33790eV G1_3p4d=0.86651eV F2_3p4d=3.91843eV G3_3p4d=0.84794eV F0_4d4d=16.12918eV F2_4d4d=8.32677eV F4_4d4d=5.50988eV Z=42 3p06 4d03 Mo3+ SOC_3p=11.555eV SOC_4d=0.099eV F0_3p4d=20.40785eV G1_3p4d=0.77661eV F2_3p4d=3.57253eV G3_3p4d=0.75757eV F0_4d4d=15.30796eV F2_4d4d=7.81749eV F4_4d4d=5.13684eV Z=42 3p06 4d04 Mo2+ SOC_3p=11.550eV SOC_4d=0.086eV F0_3p4d=19.37841eV G1_3p4d=0.68475eV F2_3p4d=3.21446eV G3_3p4d=0.66629eV F0_4d4d=14.38397eV F2_4d4d=7.23404eV F4_4d4d=4.71274eV Z=42 3p06 4d05 Mo1+ SOC_3p=11.548eV SOC_4d=0.075eV F0_3p4d=18.21482eV G1_3p4d=0.59440eV F2_3p4d=2.84620eV G3_3p4d=0.57715eV F0_4d4d=13.30651eV F2_4d4d=6.54074eV F4_4d4d=4.21472eV Z=42 3p05 4d00 Mo7+ SOC_3p=11.858eV Z=42 3p05 4d01 Mo6+ SOC_3p=11.838eV SOC_4d=0.153eV F0_3p4d=23.97161eV G1_3p4d=1.11347eV F2_3p4d=4.97265eV G3_3p4d=1.11472eV Z=42 3p05 4d02 Mo5+ SOC_3p=11.822eV SOC_4d=0.140eV F0_3p4d=23.20091eV G1_3p4d=1.02706eV F2_3p4d=4.64637eV G3_3p4d=1.02480eV F0_4d4d=17.65973eV F2_4d4d=9.16000eV F4_4d4d=6.10027eV Z=42 3p05 4d03 Mo4+ SOC_3p=11.810eV SOC_4d=0.127eV F0_3p4d=22.38748eV G1_3p4d=0.94037eV F2_3p4d=4.31561eV G3_3p4d=0.93545eV F0_4d4d=16.94515eV F2_4d4d=8.72819eV F4_4d4d=5.78156eV Z=42 3p05 4d04 Mo3+ SOC_3p=11.802eV SOC_4d=0.115eV F0_3p4d=21.51864eV G1_3p4d=0.85386eV F2_3p4d=3.97949eV G3_3p4d=0.84708eV F0_4d4d=16.16998eV F2_4d4d=8.24784eV F4_4d4d=5.42846eV Z=42 3p05 4d05 Mo2+ SOC_3p=11.796eV SOC_4d=0.102eV F0_3p4d=20.57477eV G1_3p4d=0.76819eV F2_3p4d=3.63681eV G3_3p4d=0.76025eV F0_4d4d=15.30906eV F2_4d4d=7.70123eV F4_4d4d=5.02932eV Z=42 3p05 4d06 Mo1+ SOC_3p=11.794eV SOC_4d=0.090eV F0_3p4d=19.51400eV G1_3p4d=0.68086eV F2_3p4d=3.28059eV G3_3p4d=0.67262eV F0_4d4d=14.31769eV F2_4d4d=7.06221eV F4_4d4d=4.56768eV Z=43 1s02 4d00 Tc7+ SOC_1s=0.000eV Z=43 1s02 4d01 Tc6+ SOC_1s=0.000eV SOC_4d=0.162eV F0_1s4d=26.51075eV G2_1s4d=0.03643eV Z=43 1s02 4d02 Tc5+ SOC_1s=0.000eV SOC_4d=0.148eV F0_1s4d=25.52417eV G2_1s4d=0.03319eV F0_4d4d=17.77186eV F2_4d4d=9.21801eV F4_4d4d=6.13226eV Z=43 1s02 4d03 Tc4+ SOC_1s=0.000eV SOC_4d=0.135eV F0_1s4d=24.49524eV G2_1s4d=0.03004eV F0_4d4d=17.04099eV F2_4d4d=8.77391eV F4_4d4d=5.80495eV Z=43 1s02 4d04 Tc3+ SOC_1s=0.000eV SOC_4d=0.121eV F0_1s4d=23.40225eV G2_1s4d=0.02691eV F0_4d4d=16.24588eV F2_4d4d=8.28135eV F4_4d4d=5.44355eV Z=43 1s02 4d05 Tc2+ SOC_1s=0.000eV SOC_4d=0.108eV F0_1s4d=22.24033eV G2_1s4d=0.02394eV F0_4d4d=15.36241eV F2_4d4d=7.72043eV F4_4d4d=5.03484eV Z=43 1s01 4d00 Tc8+ SOC_1s=0.000eV Z=43 1s01 4d01 Tc7+ SOC_1s=0.000eV SOC_4d=0.208eV F0_1s4d=28.79702eV G2_1s4d=0.04626eV Z=43 1s01 4d02 Tc6+ SOC_1s=0.000eV SOC_4d=0.192eV F0_1s4d=27.85914eV G2_1s4d=0.04261eV F0_4d4d=19.36089eV F2_4d4d=10.06959eV F4_4d4d=6.72628eV Z=43 1s01 4d03 Tc5+ SOC_1s=0.000eV SOC_4d=0.177eV F0_1s4d=26.89388eV G2_1s4d=0.03908eV F0_4d4d=18.69003eV F2_4d4d=9.67049eV F4_4d4d=6.43105eV Z=43 1s01 4d04 Tc4+ SOC_1s=0.000eV SOC_4d=0.162eV F0_1s4d=25.90262eV G2_1s4d=0.03575eV F0_4d4d=17.97792eV F2_4d4d=9.23476eV F4_4d4d=6.10945eV Z=43 1s01 4d05 Tc3+ SOC_1s=0.000eV SOC_4d=0.147eV F0_1s4d=24.84926eV G2_1s4d=0.03240eV F0_4d4d=17.20675eV F2_4d4d=8.75530eV F4_4d4d=5.75711eV Z=43 1s01 4d06 Tc2+ SOC_1s=0.000eV SOC_4d=0.132eV F0_1s4d=23.73070eV G2_1s4d=0.02916eV F0_4d4d=16.35601eV F2_4d4d=8.21470eV F4_4d4d=5.36243eV Z=43 2s02 4d00 Tc7+ SOC_2s=0.000eV Z=43 2s02 4d01 Tc6+ SOC_2s=0.000eV SOC_4d=0.162eV F0_2s4d=26.19253eV G2_2s4d=1.74821eV Z=43 2s02 4d02 Tc5+ SOC_2s=0.000eV SOC_4d=0.148eV F0_2s4d=25.23395eV G2_2s4d=1.59758eV F0_4d4d=17.77186eV F2_4d4d=9.21801eV F4_4d4d=6.13226eV Z=43 2s02 4d03 Tc4+ SOC_2s=0.000eV SOC_4d=0.135eV F0_2s4d=24.23233eV G2_2s4d=1.44980eV F0_4d4d=17.04099eV F2_4d4d=8.77391eV F4_4d4d=5.80495eV Z=43 2s02 4d04 Tc3+ SOC_2s=0.000eV SOC_4d=0.121eV F0_2s4d=23.16650eV G2_2s4d=1.30198eV F0_4d4d=16.24588eV F2_4d4d=8.28135eV F4_4d4d=5.44355eV Z=43 2s02 4d05 Tc2+ SOC_2s=0.000eV SOC_4d=0.108eV F0_2s4d=22.03050eV G2_2s4d=1.16030eV F0_4d4d=15.36241eV F2_4d4d=7.72043eV F4_4d4d=5.03484eV Z=43 2s01 4d00 Tc8+ SOC_2s=0.000eV Z=43 2s01 4d01 Tc7+ SOC_2s=0.000eV SOC_4d=0.204eV F0_2s4d=28.39896eV G2_2s4d=2.09114eV Z=43 2s01 4d02 Tc6+ SOC_2s=0.000eV SOC_4d=0.189eV F0_2s4d=27.49894eV G2_2s4d=1.93384eV F0_4d4d=19.37736eV F2_4d4d=10.08276eV F4_4d4d=6.73689eV Z=43 2s01 4d03 Tc5+ SOC_2s=0.000eV SOC_4d=0.174eV F0_2s4d=26.57836eV G2_2s4d=1.78294eV F0_4d4d=18.71273eV F2_4d4d=9.68563eV F4_4d4d=6.44292eV Z=43 2s01 4d04 Tc4+ SOC_2s=0.000eV SOC_4d=0.159eV F0_2s4d=25.61428eV G2_2s4d=1.63257eV F0_4d4d=18.00458eV F2_4d4d=9.25428eV F4_4d4d=6.12445eV Z=43 2s01 4d05 Tc3+ SOC_2s=0.000eV SOC_4d=0.144eV F0_2s4d=24.59657eV G2_2s4d=1.48322eV F0_4d4d=17.23923eV F2_4d4d=8.77855eV F4_4d4d=5.77466eV Z=43 2s01 4d06 Tc2+ SOC_2s=0.000eV SOC_4d=0.130eV F0_2s4d=23.51934eV G2_2s4d=1.33992eV F0_4d4d=16.39574eV F2_4d4d=8.24127eV F4_4d4d=5.38213eV Z=43 3s02 4d00 Tc7+ SOC_3s=0.000eV Z=43 3s02 4d01 Tc6+ SOC_3s=0.000eV SOC_4d=0.162eV F0_3s4d=24.15663eV G2_3s4d=1.00525eV Z=43 3s02 4d02 Tc5+ SOC_3s=0.000eV SOC_4d=0.148eV F0_3s4d=23.37048eV G2_3s4d=0.92487eV F0_4d4d=17.77186eV F2_4d4d=9.21801eV F4_4d4d=6.13226eV Z=43 3s02 4d03 Tc4+ SOC_3s=0.000eV SOC_4d=0.135eV F0_3s4d=22.53893eV G2_3s4d=0.84448eV F0_4d4d=17.04099eV F2_4d4d=8.77391eV F4_4d4d=5.80495eV Z=43 3s02 4d04 Tc3+ SOC_3s=0.000eV SOC_4d=0.121eV F0_3s4d=21.64405eV G2_3s4d=0.76297eV F0_4d4d=16.24588eV F2_4d4d=8.28135eV F4_4d4d=5.44355eV Z=43 3s02 4d05 Tc2+ SOC_3s=0.000eV SOC_4d=0.108eV F0_3s4d=20.67254eV G2_3s4d=0.68309eV F0_4d4d=15.36241eV F2_4d4d=7.72043eV F4_4d4d=5.03484eV Z=43 3s01 4d00 Tc8+ SOC_3s=0.000eV Z=43 3s01 4d01 Tc7+ SOC_3s=0.000eV SOC_4d=0.195eV F0_3s4d=25.80762eV G2_3s4d=1.14956eV Z=43 3s01 4d02 Tc6+ SOC_3s=0.000eV SOC_4d=0.181eV F0_3s4d=25.08834eV G2_3s4d=1.07054eV F0_4d4d=19.19298eV F2_4d4d=9.97876eV F4_4d4d=6.67165eV Z=43 3s01 4d03 Tc5+ SOC_3s=0.000eV SOC_4d=0.166eV F0_3s4d=24.33956eV G2_3s4d=0.99199eV F0_4d4d=18.53491eV F2_4d4d=9.58884eV F4_4d4d=6.38292eV Z=43 3s01 4d04 Tc4+ SOC_3s=0.000eV SOC_4d=0.152eV F0_3s4d=23.55626eV G2_3s4d=0.91495eV F0_4d4d=17.83680eV F2_4d4d=9.16349eV F4_4d4d=6.06859eV Z=43 3s01 4d05 Tc3+ SOC_3s=0.000eV SOC_4d=0.138eV F0_3s4d=22.71362eV G2_3s4d=0.83553eV F0_4d4d=17.08098eV F2_4d4d=8.69624eV F4_4d4d=5.72473eV Z=43 3s01 4d06 Tc2+ SOC_3s=0.000eV SOC_4d=0.125eV F0_3s4d=21.80726eV G2_3s4d=0.75785eV F0_4d4d=16.24884eV F2_4d4d=8.16818eV F4_4d4d=5.33850eV Z=43 2p06 4d00 Tc7+ SOC_2p=77.382eV Z=43 2p06 4d01 Tc6+ SOC_2p=77.379eV SOC_4d=0.162eV F0_2p4d=26.27750eV G1_2p4d=1.88951eV F2_2p4d=2.27759eV G3_2p4d=1.09792eV Z=43 2p06 4d02 Tc5+ SOC_2p=77.377eV SOC_4d=0.148eV F0_2p4d=25.31144eV G1_2p4d=1.72652eV F2_2p4d=2.09220eV G3_2p4d=1.00296eV F0_4d4d=17.77186eV F2_4d4d=9.21801eV F4_4d4d=6.13226eV Z=43 2p06 4d03 Tc4+ SOC_2p=77.375eV SOC_4d=0.135eV F0_2p4d=24.30253eV G1_2p4d=1.56668eV F2_2p4d=1.90897eV G3_2p4d=0.90991eV F0_4d4d=17.04099eV F2_4d4d=8.77391eV F4_4d4d=5.80495eV Z=43 2p06 4d04 Tc3+ SOC_2p=77.375eV SOC_4d=0.121eV F0_2p4d=23.22944eV G1_2p4d=1.40682eV F2_2p4d=1.72466eV G3_2p4d=0.81692eV F0_4d4d=16.24588eV F2_4d4d=8.28135eV F4_4d4d=5.44355eV Z=43 2p06 4d05 Tc2+ SOC_2p=77.375eV SOC_4d=0.108eV F0_2p4d=22.08652eV G1_2p4d=1.25365eV F2_2p4d=1.54577eV G3_2p4d=0.72786eV F0_4d4d=15.36241eV F2_4d4d=7.72043eV F4_4d4d=5.03484eV Z=43 2p05 4d00 Tc8+ SOC_2p=79.170eV Z=43 2p05 4d01 Tc7+ SOC_2p=79.165eV SOC_4d=0.205eV F0_2p4d=28.51299eV G1_2p4d=2.25667eV F2_2p4d=2.68403eV G3_2p4d=1.31485eV Z=43 2p05 4d02 Tc6+ SOC_2p=79.160eV SOC_4d=0.190eV F0_2p4d=27.60276eV G1_2p4d=2.08637eV F2_2p4d=2.49367eV G3_2p4d=1.21529eV F0_4d4d=19.37835eV F2_4d4d=10.08239eV F4_4d4d=6.73634eV Z=43 2p05 4d03 Tc5+ SOC_2p=79.158eV SOC_4d=0.175eV F0_2p4d=26.67109eV G1_2p4d=1.92229eV F2_2p4d=2.30869eV G3_2p4d=1.11945eV F0_4d4d=18.71269eV F2_4d4d=9.68514eV F4_4d4d=6.44232eV Z=43 2p05 4d04 Tc4+ SOC_2p=79.156eV SOC_4d=0.160eV F0_2p4d=25.70219eV G1_2p4d=1.76153eV F2_2p4d=2.12610eV G3_2p4d=1.02562eV F0_4d4d=18.00455eV F2_4d4d=9.25294eV F4_4d4d=6.12321eV Z=43 2p05 4d05 Tc3+ SOC_2p=79.156eV SOC_4d=0.145eV F0_2p4d=24.67358eV G1_2p4d=1.59933eV F2_2p4d=1.94113eV G3_2p4d=0.93101eV F0_4d4d=17.23809eV F2_4d4d=8.77699eV F4_4d4d=5.77330eV Z=43 2p05 4d06 Tc2+ SOC_2p=79.156eV SOC_4d=0.131eV F0_2p4d=23.58761eV G1_2p4d=1.44455eV F2_2p4d=1.76233eV G3_2p4d=0.84079eV F0_4d4d=16.39365eV F2_4d4d=8.23916eV F4_4d4d=5.38041eV Z=43 3p06 4d00 Tc7+ SOC_3p=13.110eV Z=43 3p06 4d01 Tc6+ SOC_3p=13.089eV SOC_4d=0.162eV F0_3p4d=24.16180eV G1_3p4d=1.10038eV F2_3p4d=4.91543eV G3_3p4d=1.09665eV Z=43 3p06 4d02 Tc5+ SOC_3p=13.073eV SOC_4d=0.148eV F0_3p4d=23.37487eV G1_3p4d=1.01401eV F2_3p4d=4.58789eV G3_3p4d=1.00719eV F0_4d4d=17.77186eV F2_4d4d=9.21801eV F4_4d4d=6.13226eV Z=43 3p06 4d03 Tc4+ SOC_3p=13.061eV SOC_4d=0.135eV F0_3p4d=22.54269eV G1_3p4d=0.92719eV F2_3p4d=4.25559eV G3_3p4d=0.91816eV F0_4d4d=17.04099eV F2_4d4d=8.77391eV F4_4d4d=5.80495eV Z=43 3p06 4d04 Tc3+ SOC_3p=13.052eV SOC_4d=0.121eV F0_3p4d=21.64726eV G1_3p4d=0.83872eV F2_3p4d=3.91500eV G3_3p4d=0.82843eV F0_4d4d=16.24588eV F2_4d4d=8.28135eV F4_4d4d=5.44355eV Z=43 3p06 4d05 Tc2+ SOC_3p=13.047eV SOC_4d=0.108eV F0_3p4d=20.67533eV G1_3p4d=0.75169eV F2_3p4d=3.56890eV G3_3p4d=0.74079eV F0_4d4d=15.36241eV F2_4d4d=7.72043eV F4_4d4d=5.03484eV Z=43 3p05 4d00 Tc8+ SOC_3p=13.407eV Z=43 3p05 4d01 Tc7+ SOC_3p=13.381eV SOC_4d=0.195eV F0_3p4d=25.81269eV G1_3p4d=1.25128eV F2_3p4d=5.60665eV G3_3p4d=1.26789eV Z=43 3p05 4d02 Tc6+ SOC_3p=13.360eV SOC_4d=0.180eV F0_3p4d=25.09175eV G1_3p4d=1.16729eV F2_3p4d=5.28850eV G3_3p4d=1.17910eV F0_4d4d=19.18792eV F2_4d4d=9.97643eV F4_4d4d=6.67012eV Z=43 3p05 4d03 Tc5+ SOC_3p=13.343eV SOC_4d=0.166eV F0_3p4d=24.34188eV G1_3p4d=1.08342eV F2_3p4d=4.96803eV G3_3p4d=1.09120eV F0_4d4d=18.52981eV F2_4d4d=9.58639eV F4_4d4d=6.38130eV Z=43 3p05 4d04 Tc4+ SOC_3p=13.331eV SOC_4d=0.152eV F0_3p4d=23.55732eV G1_3p4d=1.00059eV F2_3p4d=4.64569eV G3_3p4d=1.00503eV F0_4d4d=17.83171eV F2_4d4d=9.16120eV F4_4d4d=6.06709eV Z=43 3p05 4d05 Tc3+ SOC_3p=13.322eV SOC_4d=0.138eV F0_3p4d=22.71382eV G1_3p4d=0.91483eV F2_3p4d=4.31333eV G3_3p4d=0.91686eV F0_4d4d=17.07594eV F2_4d4d=8.69398eV F4_4d4d=5.72326eV Z=43 3p05 4d06 Tc2+ SOC_3p=13.316eV SOC_4d=0.125eV F0_3p4d=21.80687eV G1_3p4d=0.83067eV F2_3p4d=3.97664eV G3_3p4d=0.83087eV F0_4d4d=16.24389eV F2_4d4d=8.16588eV F4_4d4d=5.33701eV Z=44 1s02 4d00 Ru8+ SOC_1s=0.000eV Z=44 1s02 4d01 Ru7+ SOC_1s=0.000eV SOC_4d=0.207eV F0_1s4d=28.74926eV G2_1s4d=0.04360eV Z=44 1s02 4d02 Ru6+ SOC_1s=0.000eV SOC_4d=0.191eV F0_1s4d=27.80825eV G2_1s4d=0.04014eV F0_4d4d=19.32234eV F2_4d4d=10.04826eV F4_4d4d=6.71167eV Z=44 1s02 4d03 Ru5+ SOC_1s=0.000eV SOC_4d=0.176eV F0_1s4d=26.83525eV G2_1s4d=0.03676eV F0_4d4d=18.64918eV F2_4d4d=9.64905eV F4_4d4d=6.41644eV Z=44 1s02 4d04 Ru4+ SOC_1s=0.000eV SOC_4d=0.160eV F0_1s4d=25.83231eV G2_1s4d=0.03354eV F0_4d4d=17.93444eV F2_4d4d=9.21380eV F4_4d4d=6.09528eV Z=44 1s02 4d05 Ru3+ SOC_1s=0.000eV SOC_4d=0.146eV F0_1s4d=24.78242eV G2_1s4d=0.03041eV F0_4d4d=17.16286eV F2_4d4d=8.73298eV F4_4d4d=5.74195eV Z=44 1s02 4d06 Ru2+ SOC_1s=0.000eV SOC_4d=0.131eV F0_1s4d=23.66674eV G2_1s4d=0.02739eV F0_4d4d=16.31123eV F2_4d4d=8.19087eV F4_4d4d=5.34622eV Z=44 1s01 4d00 Ru9+ SOC_1s=0.000eV Z=44 1s01 4d01 Ru8+ SOC_1s=0.000eV SOC_4d=0.259eV F0_1s4d=30.95798eV G2_1s4d=0.05405eV Z=44 1s01 4d02 Ru7+ SOC_1s=0.000eV SOC_4d=0.242eV F0_1s4d=30.06504eV G2_1s4d=0.05030eV F0_4d4d=20.84717eV F2_4d4d=10.85517eV F4_4d4d=7.27382eV Z=44 1s01 4d03 Ru6+ SOC_1s=0.000eV SOC_4d=0.224eV F0_1s4d=29.13559eV G2_1s4d=0.04651eV F0_4d4d=20.21619eV F2_4d4d=10.48907eV F4_4d4d=7.00255eV Z=44 1s01 4d04 Ru5+ SOC_1s=0.000eV SOC_4d=0.207eV F0_1s4d=28.19136eV G2_1s4d=0.04293eV F0_4d4d=19.55633eV F2_4d4d=10.09501eV F4_4d4d=6.71079eV Z=44 1s01 4d05 Ru4+ SOC_1s=0.000eV SOC_4d=0.191eV F0_1s4d=27.21497eV G2_1s4d=0.03947eV F0_4d4d=18.85689eV F2_4d4d=9.66772eV F4_4d4d=6.39515eV Z=44 1s01 4d06 Ru3+ SOC_1s=0.000eV SOC_4d=0.175eV F0_1s4d=26.19623eV G2_1s4d=0.03611eV F0_4d4d=18.10484eV F2_4d4d=9.19793eV F4_4d4d=6.04949eV Z=44 1s01 4d07 Ru2+ SOC_1s=0.000eV SOC_4d=0.159eV F0_1s4d=25.11982eV G2_1s4d=0.03285eV F0_4d4d=17.28024eV F2_4d4d=8.67192eV F4_4d4d=5.66489eV Z=44 2s02 4d00 Ru8+ SOC_2s=0.000eV Z=44 2s02 4d01 Ru7+ SOC_2s=0.000eV SOC_4d=0.207eV F0_2s4d=28.37330eV G2_2s4d=2.04258eV Z=44 2s02 4d02 Ru6+ SOC_2s=0.000eV SOC_4d=0.191eV F0_2s4d=27.46170eV G2_2s4d=1.88679eV F0_4d4d=19.32234eV F2_4d4d=10.04826eV F4_4d4d=6.71167eV Z=44 2s02 4d03 Ru5+ SOC_2s=0.000eV SOC_4d=0.176eV F0_2s4d=26.51756eV G2_2s4d=1.73298eV F0_4d4d=18.64918eV F2_4d4d=9.64905eV F4_4d4d=6.41644eV Z=44 2s02 4d04 Ru4+ SOC_2s=0.000eV SOC_4d=0.160eV F0_2s4d=25.54225eV G2_2s4d=1.58486eV F0_4d4d=17.93444eV F2_4d4d=9.21380eV F4_4d4d=6.09528eV Z=44 2s02 4d05 Ru3+ SOC_2s=0.000eV SOC_4d=0.146eV F0_2s4d=24.51917eV G2_2s4d=1.44040eV F0_4d4d=17.16286eV F2_4d4d=8.73298eV F4_4d4d=5.74195eV Z=44 2s02 4d06 Ru2+ SOC_2s=0.000eV SOC_4d=0.131eV F0_2s4d=23.42952eV G2_2s4d=1.29944eV F0_4d4d=16.31123eV F2_4d4d=8.19087eV F4_4d4d=5.34622eV Z=44 2s01 4d00 Ru9+ SOC_2s=0.000eV Z=44 2s01 4d01 Ru8+ SOC_2s=0.000eV SOC_4d=0.255eV F0_2s4d=30.49882eV G2_2s4d=2.39259eV Z=44 2s01 4d02 Ru7+ SOC_2s=0.000eV SOC_4d=0.237eV F0_2s4d=29.62338eV G2_2s4d=2.22677eV F0_4d4d=20.85484eV F2_4d4d=10.86596eV F4_4d4d=7.28298eV Z=44 2s01 4d03 Ru6+ SOC_2s=0.000eV SOC_4d=0.220eV F0_2s4d=28.74145eV G2_2s4d=2.07032eV F0_4d4d=20.22945eV F2_4d4d=10.50070eV F4_4d4d=7.01216eV Z=44 2s01 4d04 Ru5+ SOC_2s=0.000eV SOC_4d=0.204eV F0_2s4d=27.83382eV G2_2s4d=1.91725eV F0_4d4d=19.57378eV F2_4d4d=10.10904eV F4_4d4d=6.72205eV Z=44 2s01 4d05 Ru4+ SOC_2s=0.000eV SOC_4d=0.187eV F0_2s4d=26.89344eV G2_2s4d=1.76761eV F0_4d4d=18.87888eV F2_4d4d=9.68441eV F4_4d4d=6.40824eV Z=44 2s01 4d06 Ru3+ SOC_2s=0.000eV SOC_4d=0.172eV F0_2s4d=25.91059eV G2_2s4d=1.62148eV F0_4d4d=18.13209eV F2_4d4d=9.21772eV F4_4d4d=6.06470eV Z=44 2s01 4d07 Ru2+ SOC_2s=0.000eV SOC_4d=0.157eV F0_2s4d=24.87038eV G2_2s4d=1.47888eV F0_4d4d=17.31384eV F2_4d4d=8.69544eV F4_4d4d=5.68258eV Z=44 3s02 4d00 Ru8+ SOC_3s=0.000eV Z=44 3s02 4d01 Ru7+ SOC_3s=0.000eV SOC_4d=0.207eV F0_3s4d=26.02315eV G2_3s4d=1.13879eV Z=44 3s02 4d02 Ru6+ SOC_3s=0.000eV SOC_4d=0.191eV F0_3s4d=25.28713eV G2_3s4d=1.05903eV F0_4d4d=19.32234eV F2_4d4d=10.04826eV F4_4d4d=6.71167eV Z=44 3s02 4d03 Ru5+ SOC_3s=0.000eV SOC_4d=0.176eV F0_3s4d=24.51732eV G2_3s4d=0.97897eV F0_4d4d=18.64918eV F2_4d4d=9.64905eV F4_4d4d=6.41644eV Z=44 3s02 4d04 Ru4+ SOC_3s=0.000eV SOC_4d=0.160eV F0_3s4d=23.71072eV G2_3s4d=0.90017eV F0_4d4d=17.93444eV F2_4d4d=9.21380eV F4_4d4d=6.09528eV Z=44 3s02 4d05 Ru3+ SOC_3s=0.000eV SOC_4d=0.146eV F0_3s4d=22.85294eV G2_3s4d=0.82195eV F0_4d4d=17.16286eV F2_4d4d=8.73298eV F4_4d4d=5.74195eV Z=44 3s02 4d06 Ru2+ SOC_3s=0.000eV SOC_4d=0.131eV F0_3s4d=21.92520eV G2_3s4d=0.74442eV F0_4d4d=16.31123eV F2_4d4d=8.19087eV F4_4d4d=5.34622eV Z=44 3s01 4d00 Ru9+ SOC_3s=0.000eV Z=44 3s01 4d01 Ru8+ SOC_3s=0.000eV SOC_4d=0.243eV F0_3s4d=27.57664eV G2_3s4d=1.27942eV Z=44 3s01 4d02 Ru7+ SOC_3s=0.000eV SOC_4d=0.228eV F0_3s4d=26.90232eV G2_3s4d=1.20334eV F0_4d4d=20.66266eV F2_4d4d=10.75283eV F4_4d4d=7.21109eV Z=44 3s01 4d03 Ru6+ SOC_3s=0.000eV SOC_4d=0.211eV F0_3s4d=26.19147eV G2_3s4d=1.12371eV F0_4d4d=20.04167eV F2_4d4d=10.39538eV F4_4d4d=6.94610eV Z=44 3s01 4d04 Ru5+ SOC_3s=0.000eV SOC_4d=0.195eV F0_3s4d=25.45977eV G2_3s4d=1.04638eV F0_4d4d=19.39366eV F2_4d4d=10.01024eV F4_4d4d=6.66068eV Z=44 3s01 4d05 Ru4+ SOC_3s=0.000eV SOC_4d=0.180eV F0_3s4d=24.69331eV G2_3s4d=0.96954eV F0_4d4d=18.70756eV F2_4d4d=9.59282eV F4_4d4d=6.35197eV Z=44 3s01 4d06 Ru3+ SOC_3s=0.000eV SOC_4d=0.165eV F0_3s4d=23.88183eV G2_3s4d=0.89328eV F0_4d4d=17.97049eV F2_4d4d=9.13394eV F4_4d4d=6.01385eV Z=44 3s01 4d07 Ru2+ SOC_3s=0.000eV SOC_4d=0.150eV F0_3s4d=23.01024eV G2_3s4d=0.81770eV F0_4d4d=17.16296eV F2_4d4d=8.62010eV F4_4d4d=5.63750eV Z=44 2p06 4d00 Ru8+ SOC_2p=85.822eV Z=44 2p06 4d01 Ru7+ SOC_2p=85.817eV SOC_4d=0.207eV F0_2p4d=28.47366eV G1_2p4d=2.20965eV F2_2p4d=2.63824eV G3_2p4d=1.28554eV Z=44 2p06 4d02 Ru6+ SOC_2p=85.813eV SOC_4d=0.191eV F0_2p4d=27.55420eV G1_2p4d=2.04088eV F2_2p4d=2.44880eV G3_2p4d=1.18705eV F0_4d4d=19.32234eV F2_4d4d=10.04826eV F4_4d4d=6.71167eV Z=44 2p06 4d03 Ru5+ SOC_2p=85.810eV SOC_4d=0.176eV F0_2p4d=26.60236eV G1_2p4d=1.87432eV F2_2p4d=2.26073eV G3_2p4d=1.08991eV F0_4d4d=18.64918eV F2_4d4d=9.64905eV F4_4d4d=6.41644eV Z=44 2p06 4d04 Ru4+ SOC_2p=85.808eV SOC_4d=0.160eV F0_2p4d=25.61968eV G1_2p4d=1.71397eV F2_2p4d=2.07796eV G3_2p4d=0.99647eV F0_4d4d=17.93444eV F2_4d4d=9.21380eV F4_4d4d=6.09528eV Z=44 2p06 4d05 Ru3+ SOC_2p=85.808eV SOC_4d=0.146eV F0_2p4d=24.58944eV G1_2p4d=1.55762eV F2_2p4d=1.89820eV G3_2p4d=0.90541eV F0_4d4d=17.16286eV F2_4d4d=8.73298eV F4_4d4d=5.74195eV Z=44 2p06 4d06 Ru2+ SOC_2p=85.808eV SOC_4d=0.131eV F0_2p4d=23.49284eV G1_2p4d=1.40510eV F2_2p4d=1.72114eV G3_2p4d=0.81664eV F0_4d4d=16.31123eV F2_4d4d=8.19087eV F4_4d4d=5.34622eV Z=44 2p05 4d00 Ru9+ SOC_2p=87.761eV Z=44 2p05 4d01 Ru8+ SOC_2p=87.754eV SOC_4d=0.256eV F0_2p4d=30.62817eV G1_2p4d=2.58362eV F2_2p4d=3.04815eV G3_2p4d=1.50711eV Z=44 2p05 4d02 Ru7+ SOC_2p=87.748eV SOC_4d=0.238eV F0_2p4d=29.74742eV G1_2p4d=2.40609eV F2_2p4d=2.85215eV G3_2p4d=1.40316eV F0_4d4d=20.85759eV F2_4d4d=10.86604eV F4_4d4d=7.28270eV Z=44 2p05 4d03 Ru6+ SOC_2p=87.744eV SOC_4d=0.221eV F0_2p4d=28.85426eV G1_2p4d=2.23583eV F2_2p4d=2.66256eV G3_2p4d=1.30354eV F0_4d4d=20.23124eV F2_4d4d=10.50071eV F4_4d4d=7.01185eV Z=44 2p05 4d04 Ru5+ SOC_2p=87.741eV SOC_4d=0.205eV F0_2p4d=27.93771eV G1_2p4d=2.07020eV F2_2p4d=2.47678eV G3_2p4d=1.20670eV F0_4d4d=19.57506eV F2_4d4d=10.10876eV F4_4d4d=6.72155eV Z=44 2p05 4d05 Ru4+ SOC_2p=87.739eV SOC_4d=0.188eV F0_2p4d=26.98843eV G1_2p4d=1.90831eV F2_2p4d=2.29387eV G3_2p4d=1.11211eV F0_4d4d=18.87949eV F2_4d4d=9.68374eV F4_4d4d=6.40748eV Z=44 2p05 4d06 Ru3+ SOC_2p=87.738eV SOC_4d=0.173eV F0_2p4d=25.99665eV G1_2p4d=1.75023eV F2_2p4d=2.11382eV G3_2p4d=1.01982eV F0_4d4d=18.13183eV F2_4d4d=9.21657eV F4_4d4d=6.06361eV Z=44 2p05 4d07 Ru2+ SOC_2p=87.738eV SOC_4d=0.157eV F0_2p4d=24.94719eV G1_2p4d=1.59597eV F2_2p4d=1.93650eV G3_2p4d=0.92981eV F0_4d4d=17.31230eV F2_4d4d=8.69360eV F4_4d4d=5.68103eV Z=44 3p06 4d00 Ru8+ SOC_3p=14.779eV Z=44 3p06 4d01 Ru7+ SOC_3p=14.754eV SOC_4d=0.207eV F0_3p4d=26.03377eV G1_3p4d=1.24087eV F2_3p4d=5.55654eV G3_3p4d=1.25190eV Z=44 3p06 4d02 Ru6+ SOC_3p=14.732eV SOC_4d=0.191eV F0_3p4d=25.29650eV G1_3p4d=1.15591eV F2_3p4d=5.23559eV G3_3p4d=1.16259eV F0_4d4d=19.32234eV F2_4d4d=10.04826eV F4_4d4d=6.71167eV Z=44 3p06 4d03 Ru5+ SOC_3p=14.715eV SOC_4d=0.176eV F0_3p4d=24.52560eV G1_3p4d=1.07016eV F2_3p4d=4.91060eV G3_3p4d=1.07331eV F0_4d4d=18.64918eV F2_4d4d=9.64905eV F4_4d4d=6.41644eV Z=44 3p06 4d04 Ru4+ SOC_3p=14.703eV SOC_4d=0.160eV F0_3p4d=23.71807eV G1_3p4d=0.98536eV F2_3p4d=4.58363eV G3_3p4d=0.98569eV F0_4d4d=17.93444eV F2_4d4d=9.21380eV F4_4d4d=6.09528eV Z=44 3p06 4d05 Ru3+ SOC_3p=14.694eV SOC_4d=0.146eV F0_3p4d=22.85948eV G1_3p4d=0.90083eV F2_3p4d=4.25218eV G3_3p4d=0.89907eV F0_4d4d=17.16286eV F2_4d4d=8.73298eV F4_4d4d=5.74195eV Z=44 3p06 4d06 Ru2+ SOC_3p=14.688eV SOC_4d=0.131eV F0_3p4d=21.93101eV G1_3p4d=0.81668eV F2_3p4d=3.91440eV G3_3p4d=0.81350eV F0_4d4d=16.31123eV F2_4d4d=8.19087eV F4_4d4d=5.34622eV Z=44 3p05 4d00 Ru9+ SOC_3p=15.103eV Z=44 3p05 4d01 Ru8+ SOC_3p=15.072eV SOC_4d=0.243eV F0_3p4d=27.58874eV G1_3p4d=1.38606eV F2_3p4d=6.22593eV G3_3p4d=1.41855eV Z=44 3p05 4d02 Ru7+ SOC_3p=15.045eV SOC_4d=0.227eV F0_3p4d=26.91255eV G1_3p4d=1.30607eV F2_3p4d=5.91827eV G3_3p4d=1.33273eV F0_4d4d=20.65834eV F2_4d4d=10.75099eV F4_4d4d=7.20987eV Z=44 3p05 4d03 Ru6+ SOC_3p=15.024eV SOC_4d=0.211eV F0_3p4d=26.20020eV G1_3p4d=1.22174eV F2_3p4d=5.60098eV G3_3p4d=1.24338eV F0_4d4d=20.03743eV F2_4d4d=10.39351eV F4_4d4d=6.94487eV Z=44 3p05 4d04 Ru5+ SOC_3p=15.006eV SOC_4d=0.195eV F0_3p4d=25.46712eV G1_3p4d=1.13942eV F2_3p4d=5.28483eV G3_3p4d=1.15669eV F0_4d4d=19.38945eV F2_4d4d=10.00836eV F4_4d4d=6.65944eV Z=44 3p05 4d05 Ru4+ SOC_3p=14.993eV SOC_4d=0.180eV F0_3p4d=24.69932eV G1_3p4d=1.05719eV F2_3p4d=4.96537eV G3_3p4d=1.07077eV F0_4d4d=18.70328eV F2_4d4d=9.59090eV F4_4d4d=6.35069eV Z=44 3p05 4d06 Ru3+ SOC_3p=14.984eV SOC_4d=0.165eV F0_3p4d=23.88662eV G1_3p4d=0.97519eV F2_3p4d=4.64160eV G3_3p4d=0.98571eV F0_4d4d=17.96616eV F2_4d4d=9.13198eV F4_4d4d=6.01256eV Z=44 3p05 4d07 Ru2+ SOC_3p=14.978eV SOC_4d=0.150eV F0_3p4d=23.01401eV G1_3p4d=0.89357eV F2_3p4d=4.31218eV G3_3p4d=0.90165eV F0_4d4d=17.15866eV F2_4d4d=8.61815eV F4_4d4d=5.63622eV Z=45 1s02 4d00 Rh9+ SOC_1s=0.000eV Z=45 1s02 4d01 Rh8+ SOC_1s=0.000eV SOC_4d=0.258eV F0_1s4d=30.90229eV G2_1s4d=0.05094eV Z=45 1s02 4d02 Rh7+ SOC_1s=0.000eV SOC_4d=0.240eV F0_1s4d=30.00133eV G2_1s4d=0.04733eV F0_4d4d=20.80804eV F2_4d4d=10.83690eV F4_4d4d=7.26156eV Z=45 1s02 4d03 Rh6+ SOC_1s=0.000eV SOC_4d=0.223eV F0_1s4d=29.08080eV G2_1s4d=0.04384eV F0_4d4d=20.17787eV F2_4d4d=10.46900eV F4_4d4d=6.98888eV Z=45 1s02 4d04 Rh5+ SOC_1s=0.000eV SOC_4d=0.206eV F0_1s4d=28.13521eV G2_1s4d=0.04045eV F0_4d4d=19.51711eV F2_4d4d=10.07441eV F4_4d4d=6.69674eV Z=45 1s02 4d05 Rh4+ SOC_1s=0.000eV SOC_4d=0.190eV F0_1s4d=27.16136eV G2_1s4d=0.03721eV F0_4d4d=18.81712eV F2_4d4d=9.64592eV F4_4d4d=6.38023eV Z=45 1s02 4d06 Rh3+ SOC_1s=0.000eV SOC_4d=0.174eV F0_1s4d=26.14781eV G2_1s4d=0.03409eV F0_4d4d=18.06450eV F2_4d4d=9.17436eV F4_4d4d=6.03331eV Z=45 1s02 4d07 Rh2+ SOC_1s=0.000eV SOC_4d=0.158eV F0_1s4d=25.06263eV G2_1s4d=0.03096eV F0_4d4d=17.23770eV F2_4d4d=8.64850eV F4_4d4d=5.64890eV Z=45 1s01 4d00 Rh10+ SOC_1s=0.000eV Z=45 1s01 4d01 Rh9+ SOC_1s=0.000eV SOC_4d=0.317eV F0_1s4d=33.05720eV G2_1s4d=0.06205eV Z=45 1s01 4d02 Rh8+ SOC_1s=0.000eV SOC_4d=0.298eV F0_1s4d=32.18813eV G2_1s4d=0.05808eV F0_4d4d=22.28429eV F2_4d4d=11.61275eV F4_4d4d=7.80150eV Z=45 1s01 4d03 Rh7+ SOC_1s=0.000eV SOC_4d=0.278eV F0_1s4d=31.30315eV G2_1s4d=0.05422eV F0_4d4d=21.68530eV F2_4d4d=11.26903eV F4_4d4d=7.54651eV Z=45 1s01 4d04 Rh6+ SOC_1s=0.000eV SOC_4d=0.260eV F0_1s4d=30.40240eV G2_1s4d=0.05049eV F0_4d4d=21.06399eV F2_4d4d=10.90426eV F4_4d4d=7.27591eV Z=45 1s01 4d05 Rh5+ SOC_1s=0.000eV SOC_4d=0.242eV F0_1s4d=29.48814eV G2_1s4d=0.04697eV F0_4d4d=20.41508eV F2_4d4d=10.51282eV F4_4d4d=6.98579eV Z=45 1s01 4d06 Rh4+ SOC_1s=0.000eV SOC_4d=0.224eV F0_1s4d=28.52234eV G2_1s4d=0.04336eV F0_4d4d=19.72613eV F2_4d4d=10.09314eV F4_4d4d=6.67560eV Z=45 1s01 4d07 Rh3+ SOC_1s=0.000eV SOC_4d=0.206eV F0_1s4d=27.52579eV G2_1s4d=0.03992eV F0_4d4d=18.98931eV F2_4d4d=9.63254eV F4_4d4d=6.33640eV Z=45 1s01 4d08 Rh2+ SOC_1s=0.000eV SOC_4d=0.189eV F0_1s4d=26.48089eV G2_1s4d=0.03662eV F0_4d4d=18.18608eV F2_4d4d=9.11926eV F4_4d4d=5.96065eV Z=45 2s02 4d00 Rh9+ SOC_2s=0.000eV Z=45 2s02 4d01 Rh8+ SOC_2s=0.000eV SOC_4d=0.258eV F0_2s4d=30.46843eV G2_2s4d=2.33269eV Z=45 2s02 4d02 Rh7+ SOC_2s=0.000eV SOC_4d=0.240eV F0_2s4d=29.59771eV G2_2s4d=2.17486eV F0_4d4d=20.80804eV F2_4d4d=10.83690eV F4_4d4d=7.26156eV Z=45 2s02 4d03 Rh6+ SOC_2s=0.000eV SOC_4d=0.223eV F0_2s4d=28.70658eV G2_2s4d=2.02047eV F0_4d4d=20.17787eV F2_4d4d=10.46900eV F4_4d4d=6.98888eV Z=45 2s02 4d04 Rh5+ SOC_2s=0.000eV SOC_4d=0.206eV F0_2s4d=27.78955eV G2_2s4d=1.86953eV F0_4d4d=19.51711eV F2_4d4d=10.07441eV F4_4d4d=6.69674eV Z=45 2s02 4d05 Rh4+ SOC_2s=0.000eV SOC_4d=0.190eV F0_2s4d=26.84318eV G2_2s4d=1.72362eV F0_4d4d=18.81712eV F2_4d4d=9.64592eV F4_4d4d=6.38023eV Z=45 2s02 4d06 Rh3+ SOC_2s=0.000eV SOC_4d=0.174eV F0_2s4d=25.85609eV G2_2s4d=1.58235eV F0_4d4d=18.06450eV F2_4d4d=9.17436eV F4_4d4d=6.03331eV Z=45 2s02 4d07 Rh2+ SOC_2s=0.000eV SOC_4d=0.158eV F0_2s4d=24.79760eV G2_2s4d=1.43918eV F0_4d4d=17.23770eV F2_4d4d=8.64850eV F4_4d4d=5.64890eV Z=45 2s01 4d00 Rh10+ SOC_2s=0.000eV Z=45 2s01 4d01 Rh9+ SOC_2s=0.000eV SOC_4d=0.311eV F0_2s4d=32.51616eV G2_2s4d=2.68258eV Z=45 2s01 4d02 Rh8+ SOC_2s=0.000eV SOC_4d=0.292eV F0_2s4d=31.68477eV G2_2s4d=2.52047eV F0_4d4d=22.28657eV F2_4d4d=11.61862eV F4_4d4d=7.80714eV Z=45 2s01 4d03 Rh7+ SOC_2s=0.000eV SOC_4d=0.273eV F0_2s4d=30.83774eV G2_2s4d=2.36154eV F0_4d4d=21.69133eV F2_4d4d=11.27692eV F4_4d4d=7.55356eV Z=45 2s01 4d04 Rh6+ SOC_2s=0.000eV SOC_4d=0.255eV F0_2s4d=29.98367eV G2_2s4d=2.21112eV F0_4d4d=21.07538eV F2_4d4d=10.91279eV F4_4d4d=7.28327eV Z=45 2s01 4d05 Rh5+ SOC_2s=0.000eV SOC_4d=0.237eV F0_2s4d=29.08593eV G2_2s4d=2.05514eV F0_4d4d=20.42771eV F2_4d4d=10.52658eV F4_4d4d=6.99706eV Z=45 2s01 4d06 Rh4+ SOC_2s=0.000eV SOC_4d=0.220eV F0_2s4d=28.16321eV G2_2s4d=1.90461eV F0_4d4d=19.74420eV F2_4d4d=10.10857eV F4_4d4d=6.68792eV Z=45 2s01 4d07 Rh3+ SOC_2s=0.000eV SOC_4d=0.203eV F0_2s4d=27.20547eV G2_2s4d=1.75909eV F0_4d4d=19.01278eV F2_4d4d=9.65047eV F4_4d4d=6.35038eV Z=45 2s01 4d08 Rh2+ SOC_2s=0.000eV SOC_4d=0.186eV F0_2s4d=26.19576eV G2_2s4d=1.61699eV F0_4d4d=18.21515eV F2_4d4d=9.14053eV F4_4d4d=5.97686eV Z=45 3s02 4d00 Rh9+ SOC_3s=0.000eV Z=45 3s02 4d01 Rh8+ SOC_3s=0.000eV SOC_4d=0.258eV F0_3s4d=27.81396eV G2_3s4d=1.26864eV Z=45 3s02 4d02 Rh7+ SOC_3s=0.000eV SOC_4d=0.240eV F0_3s4d=27.11855eV G2_3s4d=1.19013eV F0_4d4d=20.80804eV F2_4d4d=10.83690eV F4_4d4d=7.26156eV Z=45 3s02 4d03 Rh6+ SOC_3s=0.000eV SOC_4d=0.223eV F0_3s4d=26.39989eV G2_3s4d=1.11199eV F0_4d4d=20.17787eV F2_4d4d=10.46900eV F4_4d4d=6.98888eV Z=45 3s02 4d04 Rh5+ SOC_3s=0.000eV SOC_4d=0.206eV F0_3s4d=25.65238eV G2_3s4d=1.03429eV F0_4d4d=19.51711eV F2_4d4d=10.07441eV F4_4d4d=6.69674eV Z=45 3s02 4d05 Rh4+ SOC_3s=0.000eV SOC_4d=0.190eV F0_3s4d=24.87063eV G2_3s4d=0.95773eV F0_4d4d=18.81712eV F2_4d4d=9.64592eV F4_4d4d=6.38023eV Z=45 3s02 4d06 Rh3+ SOC_3s=0.000eV SOC_4d=0.174eV F0_3s4d=24.04362eV G2_3s4d=0.88226eV F0_4d4d=18.06450eV F2_4d4d=9.17436eV F4_4d4d=6.03331eV Z=45 3s02 4d07 Rh2+ SOC_3s=0.000eV SOC_4d=0.158eV F0_3s4d=23.14797eV G2_3s4d=0.80556eV F0_4d4d=17.23770eV F2_4d4d=8.64850eV F4_4d4d=5.64890eV Z=45 3s01 4d00 Rh10+ SOC_3s=0.000eV Z=45 3s01 4d01 Rh9+ SOC_3s=0.000eV SOC_4d=0.298eV F0_3s4d=29.29524eV G2_3s4d=1.40865eV Z=45 3s01 4d02 Rh8+ SOC_3s=0.000eV SOC_4d=0.280eV F0_3s4d=28.64424eV G2_3s4d=1.33139eV F0_4d4d=22.08345eV F2_4d4d=11.50119eV F4_4d4d=7.73236eV Z=45 3s01 4d03 Rh7+ SOC_3s=0.000eV SOC_4d=0.262eV F0_3s4d=27.97567eV G2_3s4d=1.25443eV F0_4d4d=21.49464eV F2_4d4d=11.16503eV F4_4d4d=7.48285eV Z=45 3s01 4d04 Rh6+ SOC_3s=0.000eV SOC_4d=0.244eV F0_3s4d=27.28547eV G2_3s4d=1.17783eV F0_4d4d=20.88344eV F2_4d4d=10.80847eV F4_4d4d=7.21818eV Z=45 3s01 4d05 Rh5+ SOC_3s=0.000eV SOC_4d=0.228eV F0_3s4d=26.57260eV G2_3s4d=1.10260eV F0_4d4d=20.24525eV F2_4d4d=10.42626eV F4_4d4d=6.93467eV Z=45 3s01 4d06 Rh4+ SOC_3s=0.000eV SOC_4d=0.211eV F0_3s4d=25.82586eV G2_3s4d=1.02747eV F0_4d4d=19.57049eV F2_4d4d=10.01389eV F4_4d4d=6.62946eV Z=45 3s01 4d07 Rh3+ SOC_3s=0.000eV SOC_4d=0.195eV F0_3s4d=25.03265eV G2_3s4d=0.95141eV F0_4d4d=18.84702eV F2_4d4d=9.56438eV F4_4d4d=6.29802eV Z=45 3s01 4d08 Rh2+ SOC_3s=0.000eV SOC_4d=0.179eV F0_3s4d=24.18900eV G2_3s4d=0.87719eV F0_4d4d=18.05964eV F2_4d4d=9.06268eV F4_4d4d=5.93015eV Z=45 2p06 4d00 Rh9+ SOC_2p=94.965eV Z=45 2p06 4d01 Rh8+ SOC_2p=94.957eV SOC_4d=0.258eV F0_2p4d=30.58416eV G1_2p4d=2.52591eV F2_2p4d=2.99251eV G3_2p4d=1.47128eV Z=45 2p06 4d02 Rh7+ SOC_2p=94.951eV SOC_4d=0.240eV F0_2p4d=29.70537eV G1_2p4d=2.35473eV F2_2p4d=2.80212eV G3_2p4d=1.37120eV F0_4d4d=20.80804eV F2_4d4d=10.83690eV F4_4d4d=7.26156eV Z=45 2p06 4d03 Rh6+ SOC_2p=94.947eV SOC_4d=0.223eV F0_2p4d=28.80639eV G1_2p4d=2.18734eV F2_2p4d=2.61478eV G3_2p4d=1.27341eV F0_4d4d=20.17787eV F2_4d4d=10.46900eV F4_4d4d=6.98888eV Z=45 2p06 4d04 Rh5+ SOC_2p=94.945eV SOC_4d=0.206eV F0_2p4d=27.88174eV G1_2p4d=2.02373eV F2_2p4d=2.43043eV G3_2p4d=1.17790eV F0_4d4d=19.51711eV F2_4d4d=10.07441eV F4_4d4d=6.69674eV Z=45 2p06 4d05 Rh4+ SOC_2p=94.943eV SOC_4d=0.190eV F0_2p4d=26.92804eV G1_2p4d=1.86564eV F2_2p4d=2.25073eV G3_2p4d=1.08568eV F0_4d4d=18.81712eV F2_4d4d=9.64592eV F4_4d4d=6.38023eV Z=45 2p06 4d06 Rh3+ SOC_2p=94.942eV SOC_4d=0.174eV F0_2p4d=25.93390eV G1_2p4d=1.71260eV F2_2p4d=2.07514eV G3_2p4d=0.99646eV F0_4d4d=18.06450eV F2_4d4d=9.17436eV F4_4d4d=6.03331eV Z=45 2p06 4d07 Rh2+ SOC_2p=94.942eV SOC_4d=0.158eV F0_2p4d=24.86829eV G1_2p4d=1.55754eV F2_2p4d=1.89658eV G3_2p4d=0.90612eV F0_4d4d=17.23770eV F2_4d4d=8.64850eV F4_4d4d=5.64890eV Z=45 2p05 4d00 Rh10+ SOC_2p=97.065eV Z=45 2p05 4d01 Rh9+ SOC_2p=97.055eV SOC_4d=0.313eV F0_2p4d=32.66601eV G1_2p4d=2.90155eV F2_2p4d=3.40152eV G3_2p4d=1.69446eV Z=45 2p05 4d02 Rh8+ SOC_2p=97.047eV SOC_4d=0.294eV F0_2p4d=31.82494eV G1_2p4d=2.72569eV F2_2p4d=3.20833eV G3_2p4d=1.59129eV F0_4d4d=22.29010eV F2_4d4d=11.61950eV F4_4d4d=7.80743eV Z=45 2p05 4d03 Rh7+ SOC_2p=97.041eV SOC_4d=0.275eV F0_2p4d=30.96838eV G1_2p4d=2.55335eV F2_2p4d=3.01797eV G3_2p4d=1.49028eV F0_4d4d=21.69427eV F2_4d4d=11.27750eV F4_4d4d=7.55365eV Z=45 2p05 4d04 Rh6+ SOC_2p=97.036eV SOC_4d=0.257eV F0_2p4d=30.10279eV G1_2p4d=2.38914eV F2_2p4d=2.83488eV G3_2p4d=1.39411eV F0_4d4d=21.07734eV F2_4d4d=10.91341eV F4_4d4d=7.28342eV Z=45 2p05 4d05 Rh5+ SOC_2p=97.033eV SOC_4d=0.239eV F0_2p4d=29.20049eV G1_2p4d=2.22238eV F2_2p4d=2.64866eV G3_2p4d=1.29653eV F0_4d4d=20.42970eV F2_4d4d=10.52613eV F4_4d4d=6.99640eV Z=45 2p05 4d06 Rh4+ SOC_2p=97.032eV SOC_4d=0.221eV F0_2p4d=28.26646eV G1_2p4d=2.05827eV F2_2p4d=2.46432eV G3_2p4d=1.20057eV F0_4d4d=19.74518eV F2_4d4d=10.10808eV F4_4d4d=6.68727eV Z=45 2p05 4d07 Rh3+ SOC_2p=97.031eV SOC_4d=0.204eV F0_2p4d=27.29996eV G1_2p4d=1.90073eV F2_2p4d=2.28557eV G3_2p4d=1.10850eV F0_4d4d=19.01300eV F2_4d4d=9.64955eV F4_4d4d=6.34944eV Z=45 2p05 4d08 Rh2+ SOC_2p=97.031eV SOC_4d=0.187eV F0_2p4d=26.28173eV G1_2p4d=1.74696eV F2_2p4d=2.10957eV G3_2p4d=1.01869eV F0_4d4d=18.21460eV F2_4d4d=9.13917eV F4_4d4d=5.97563eV Z=45 3p06 4d00 Rh9+ SOC_3p=16.609eV Z=45 3p06 4d01 Rh8+ SOC_3p=16.577eV SOC_4d=0.258eV F0_3p4d=27.83057eV G1_3p4d=1.37594eV F2_3p4d=6.17902eV G3_3p4d=1.40254eV Z=45 3p06 4d02 Rh7+ SOC_3p=16.549eV SOC_4d=0.240eV F0_3p4d=27.13347eV G1_3p4d=1.29313eV F2_3p4d=5.86511eV G3_3p4d=1.31433eV F0_4d4d=20.80804eV F2_4d4d=10.83690eV F4_4d4d=7.26156eV Z=45 3p06 4d03 Rh6+ SOC_3p=16.527eV SOC_4d=0.223eV F0_3p4d=26.41333eV G1_3p4d=1.21022eV F2_3p4d=5.54930eV G3_3p4d=1.22674eV F0_4d4d=20.17787eV F2_4d4d=10.46900eV F4_4d4d=6.98888eV Z=45 3p06 4d04 Rh5+ SOC_3p=16.509eV SOC_4d=0.206eV F0_3p4d=25.66452eV G1_3p4d=1.12734eV F2_3p4d=5.23099eV G3_3p4d=1.13987eV F0_4d4d=19.51711eV F2_4d4d=10.07441eV F4_4d4d=6.69674eV Z=45 3p06 4d05 Rh4+ SOC_3p=16.496eV SOC_4d=0.190eV F0_3p4d=24.88160eV G1_3p4d=1.04528eV F2_3p4d=4.91060eV G3_3p4d=1.05448eV F0_4d4d=18.81712eV F2_4d4d=9.64592eV F4_4d4d=6.38023eV Z=45 3p06 4d06 Rh3+ SOC_3p=16.486eV SOC_4d=0.174eV F0_3p4d=24.05356eV G1_3p4d=0.96405eV F2_3p4d=4.58687eV G3_3p4d=0.97051eV F0_4d4d=18.06450eV F2_4d4d=9.17436eV F4_4d4d=6.03331eV Z=45 3p06 4d07 Rh2+ SOC_3p=16.481eV SOC_4d=0.158eV F0_3p4d=23.15693eV G1_3p4d=0.88108eV F2_3p4d=4.25398eV G3_3p4d=0.88554eV F0_4d4d=17.23770eV F2_4d4d=8.64850eV F4_4d4d=5.64890eV Z=45 3p05 4d00 Rh10+ SOC_3p=16.965eV Z=45 3p05 4d01 Rh9+ SOC_3p=16.927eV SOC_4d=0.298eV F0_3p4d=29.31480eV G1_3p4d=1.51876eV F2_3p4d=6.83292eV G3_3p4d=1.56723eV Z=45 3p05 4d02 Rh8+ SOC_3p=16.894eV SOC_4d=0.280eV F0_3p4d=28.66193eV G1_3p4d=1.43832eV F2_3p4d=6.52743eV G3_3p4d=1.48029eV F0_4d4d=22.07994eV F2_4d4d=11.49980eV F4_4d4d=7.73142eV Z=45 3p05 4d03 Rh7+ SOC_3p=16.867eV SOC_4d=0.262eV F0_3p4d=27.99098eV G1_3p4d=1.35762eV F2_3p4d=6.21997eV G3_3p4d=1.39370eV F0_4d4d=21.49081eV F2_4d4d=11.16345eV F4_4d4d=7.48179eV Z=45 3p05 4d04 Rh6+ SOC_3p=16.844eV SOC_4d=0.244eV F0_3p4d=27.29894eV G1_3p4d=1.27683eV F2_3p4d=5.91049eV G3_3p4d=1.30764eV F0_4d4d=20.87957eV F2_4d4d=10.80683eV F4_4d4d=7.21708eV Z=45 3p05 4d05 Rh5+ SOC_3p=16.825eV SOC_4d=0.228eV F0_3p4d=26.58451eV G1_3p4d=1.19709eV F2_3p4d=5.60043eV G3_3p4d=1.22324eV F0_4d4d=20.24140eV F2_4d4d=10.42460eV F4_4d4d=6.93356eV Z=45 3p05 4d06 Rh4+ SOC_3p=16.811eV SOC_4d=0.211eV F0_3p4d=25.83633eV G1_3p4d=1.11703eV F2_3p4d=5.28643eV G3_3p4d=1.13912eV F0_4d4d=19.56669eV F2_4d4d=10.01225eV F4_4d4d=6.62837eV Z=45 3p05 4d07 Rh3+ SOC_3p=16.802eV SOC_4d=0.195eV F0_3p4d=25.04182eV G1_3p4d=1.03553eV F2_3p4d=4.96554eV G3_3p4d=1.05419eV F0_4d4d=18.84330eV F2_4d4d=9.56276eV F4_4d4d=6.29694eV Z=45 3p05 4d08 Rh2+ SOC_3p=16.796eV SOC_4d=0.179eV F0_3p4d=24.19704eV G1_3p4d=0.95570eV F2_3p4d=4.64180eV G3_3p4d=0.97146eV F0_4d4d=18.05602eV F2_4d4d=9.06108eV F4_4d4d=5.92909eV Z=46 1s02 4d00 Pd10+ SOC_1s=0.000eV Z=46 1s02 4d01 Pd9+ SOC_1s=0.000eV SOC_4d=0.316eV F0_1s4d=33.00804eV G2_1s4d=0.05862eV Z=46 1s02 4d02 Pd8+ SOC_1s=0.000eV SOC_4d=0.297eV F0_1s4d=32.14980eV G2_1s4d=0.05496eV F0_4d4d=22.25059eV F2_4d4d=11.59241eV F4_4d4d=7.78744eV Z=46 1s02 4d03 Pd7+ SOC_1s=0.000eV SOC_4d=0.277eV F0_1s4d=31.25444eV G2_1s4d=0.05122eV F0_4d4d=21.64935eV F2_4d4d=11.24954eV F4_4d4d=7.53319eV Z=46 1s02 4d04 Pd6+ SOC_1s=0.000eV SOC_4d=0.258eV F0_1s4d=30.34677eV G2_1s4d=0.04764eV F0_4d4d=21.02634eV F2_4d4d=10.88504eV F4_4d4d=7.26286eV Z=46 1s02 4d05 Pd5+ SOC_1s=0.000eV SOC_4d=0.240eV F0_1s4d=29.41967eV G2_1s4d=0.04421eV F0_4d4d=20.37510eV F2_4d4d=10.49477eV F4_4d4d=6.97369eV Z=46 1s02 4d06 Pd4+ SOC_1s=0.000eV SOC_4d=0.222eV F0_1s4d=28.46322eV G2_1s4d=0.04088eV F0_4d4d=19.68664eV F2_4d4d=10.07298eV F4_4d4d=6.66189eV Z=46 1s02 4d07 Pd3+ SOC_1s=0.000eV SOC_4d=0.205eV F0_1s4d=27.46843eV G2_1s4d=0.03765eV F0_4d4d=18.94912eV F2_4d4d=9.61124eV F4_4d4d=6.32188eV Z=46 1s02 4d08 Pd2+ SOC_1s=0.000eV SOC_4d=0.188eV F0_1s4d=26.42202eV G2_1s4d=0.03453eV F0_4d4d=18.14470eV F2_4d4d=9.09722eV F4_4d4d=5.94563eV Z=46 1s01 4d00 Pd11+ SOC_1s=0.000eV Z=46 1s01 4d01 Pd10+ SOC_1s=0.000eV SOC_4d=0.384eV F0_1s4d=35.12878eV G2_1s4d=0.07045eV Z=46 1s01 4d02 Pd9+ SOC_1s=0.000eV SOC_4d=0.361eV F0_1s4d=34.27113eV G2_1s4d=0.06620eV F0_4d4d=23.68698eV F2_4d4d=12.34518eV F4_4d4d=8.31090eV Z=46 1s01 4d03 Pd8+ SOC_1s=0.000eV SOC_4d=0.340eV F0_1s4d=33.41441eV G2_1s4d=0.06218eV F0_4d4d=23.11220eV F2_4d4d=12.02039eV F4_4d4d=8.06988eV Z=46 1s01 4d04 Pd7+ SOC_1s=0.000eV SOC_4d=0.319eV F0_1s4d=32.54297eV G2_1s4d=0.05828eV F0_4d4d=22.51928eV F2_4d4d=11.67859eV F4_4d4d=7.81612eV Z=46 1s01 4d05 Pd6+ SOC_1s=0.000eV SOC_4d=0.299eV F0_1s4d=31.65444eV G2_1s4d=0.05449eV F0_4d4d=21.90448eV F2_4d4d=11.31673eV F4_4d4d=7.54752eV Z=46 1s01 4d06 Pd5+ SOC_1s=0.000eV SOC_4d=0.279eV F0_1s4d=30.74483eV G2_1s4d=0.05082eV F0_4d4d=21.26231eV F2_4d4d=10.93061eV F4_4d4d=7.26123eV Z=46 1s01 4d07 Pd4+ SOC_1s=0.000eV SOC_4d=0.260eV F0_1s4d=29.80835eV G2_1s4d=0.04725eV F0_4d4d=20.58507eV F2_4d4d=10.51461eV F4_4d4d=6.95347eV Z=46 1s01 4d08 Pd3+ SOC_1s=0.000eV SOC_4d=0.242eV F0_1s4d=28.84371eV G2_1s4d=0.04386eV F0_4d4d=19.86266eV F2_4d4d=10.05993eV F4_4d4d=6.61834eV Z=46 1s01 4d09 Pd2+ SOC_1s=0.000eV SOC_4d=0.224eV F0_1s4d=27.82996eV G2_1s4d=0.04055eV F0_4d4d=19.07778eV F2_4d4d=9.55676eV F4_4d4d=6.24962eV Z=46 2s02 4d00 Pd10+ SOC_2s=0.000eV Z=46 2s02 4d01 Pd9+ SOC_2s=0.000eV SOC_4d=0.316eV F0_2s4d=32.51472eV G2_2s4d=2.62643eV Z=46 2s02 4d02 Pd8+ SOC_2s=0.000eV SOC_4d=0.297eV F0_2s4d=31.68668eV G2_2s4d=2.47122eV F0_4d4d=22.25059eV F2_4d4d=11.59241eV F4_4d4d=7.78744eV Z=46 2s02 4d03 Pd7+ SOC_2s=0.000eV SOC_4d=0.277eV F0_2s4d=30.82234eV G2_2s4d=2.31051eV F0_4d4d=21.64935eV F2_4d4d=11.24954eV F4_4d4d=7.53319eV Z=46 2s02 4d04 Pd6+ SOC_2s=0.000eV SOC_4d=0.258eV F0_2s4d=29.94442eV G2_2s4d=2.15548eV F0_4d4d=21.02634eV F2_4d4d=10.88504eV F4_4d4d=7.26286eV Z=46 2s02 4d05 Pd5+ SOC_2s=0.000eV SOC_4d=0.240eV F0_2s4d=29.04599eV G2_2s4d=2.00516eV F0_4d4d=20.37510eV F2_4d4d=10.49477eV F4_4d4d=6.97369eV Z=46 2s02 4d06 Pd4+ SOC_2s=0.000eV SOC_4d=0.222eV F0_2s4d=28.11743eV G2_2s4d=1.85825eV F0_4d4d=19.68664eV F2_4d4d=10.07298eV F4_4d4d=6.66189eV Z=46 2s02 4d07 Pd3+ SOC_2s=0.000eV SOC_4d=0.205eV F0_2s4d=27.14973eV G2_2s4d=1.71478eV F0_4d4d=18.94912eV F2_4d4d=9.61124eV F4_4d4d=6.32188eV Z=46 2s02 4d08 Pd2+ SOC_2s=0.000eV SOC_4d=0.188eV F0_2s4d=26.12964eV G2_2s4d=1.57480eV F0_4d4d=18.14470eV F2_4d4d=9.09722eV F4_4d4d=5.94563eV Z=46 2s01 4d00 Pd11+ SOC_2s=0.000eV Z=46 2s01 4d01 Pd10+ SOC_2s=0.000eV SOC_4d=0.375eV F0_2s4d=34.50441eV G2_2s4d=2.97895eV Z=46 2s01 4d02 Pd9+ SOC_2s=0.000eV SOC_4d=0.354eV F0_2s4d=33.69742eV G2_2s4d=2.81479eV F0_4d4d=23.68382eV F2_4d4d=12.34827eV F4_4d4d=8.31465eV Z=46 2s01 4d03 Pd8+ SOC_2s=0.000eV SOC_4d=0.333eV F0_2s4d=32.87801eV G2_2s4d=2.65361eV F0_4d4d=23.11180eV F2_4d4d=12.02498eV F4_4d4d=8.07470eV Z=46 2s01 4d04 Pd7+ SOC_2s=0.000eV SOC_4d=0.313eV F0_2s4d=32.04393eV G2_2s4d=2.49553eV F0_4d4d=22.52229eV F2_4d4d=11.68504eV F4_4d4d=7.82224eV Z=46 2s01 4d05 Pd6+ SOC_2s=0.000eV SOC_4d=0.293eV F0_2s4d=31.19216eV G2_2s4d=2.34062eV F0_4d4d=21.91112eV F2_4d4d=11.32521eV F4_4d4d=7.55506eV Z=46 2s01 4d06 Pd5+ SOC_2s=0.000eV SOC_4d=0.274eV F0_2s4d=30.31865eV G2_2s4d=2.18897eV F0_4d4d=21.27281eV F2_4d4d=10.94131eV F4_4d4d=7.27030eV Z=46 2s01 4d07 Pd4+ SOC_2s=0.000eV SOC_4d=0.256eV F0_2s4d=29.42609eV G2_2s4d=2.04439eV F0_4d4d=20.60085eV F2_4d4d=10.52640eV F4_4d4d=6.96319eV Z=46 2s01 4d08 Pd3+ SOC_2s=0.000eV SOC_4d=0.237eV F0_2s4d=28.48979eV G2_2s4d=1.89940eV F0_4d4d=19.88228eV F2_4d4d=10.07552eV F4_4d4d=6.63074eV Z=46 2s01 4d09 Pd2+ SOC_2s=0.000eV SOC_4d=0.219eV F0_2s4d=27.50069eV G2_2s4d=1.75516eV F0_4d4d=19.10170eV F2_4d4d=9.57716eV F4_4d4d=6.26538eV Z=46 3s02 4d00 Pd10+ SOC_3s=0.000eV Z=46 3s02 4d01 Pd9+ SOC_3s=0.000eV SOC_4d=0.316eV F0_3s4d=29.55616eV G2_3s4d=1.39879eV Z=46 3s02 4d02 Pd8+ SOC_3s=0.000eV SOC_4d=0.297eV F0_3s4d=28.89806eV G2_3s4d=1.32264eV F0_4d4d=22.25059eV F2_4d4d=11.59241eV F4_4d4d=7.78744eV Z=46 3s02 4d03 Pd7+ SOC_3s=0.000eV SOC_4d=0.277eV F0_3s4d=28.21092eV G2_3s4d=1.24397eV F0_4d4d=21.64935eV F2_4d4d=11.24954eV F4_4d4d=7.53319eV Z=46 3s02 4d04 Pd6+ SOC_3s=0.000eV SOC_4d=0.258eV F0_3s4d=27.50483eV G2_3s4d=1.16652eV F0_4d4d=21.02634eV F2_4d4d=10.88504eV F4_4d4d=7.26286eV Z=46 3s02 4d05 Pd5+ SOC_3s=0.000eV SOC_4d=0.240eV F0_3s4d=26.77384eV G2_3s4d=1.09008eV F0_4d4d=20.37510eV F2_4d4d=10.49477eV F4_4d4d=6.97369eV Z=46 3s02 4d06 Pd4+ SOC_3s=0.000eV SOC_4d=0.222eV F0_3s4d=26.00964eV G2_3s4d=1.01428eV F0_4d4d=19.68664eV F2_4d4d=10.07298eV F4_4d4d=6.66189eV Z=46 3s02 4d07 Pd3+ SOC_3s=0.000eV SOC_4d=0.205eV F0_3s4d=25.20311eV G2_3s4d=0.93923eV F0_4d4d=18.94912eV F2_4d4d=9.61124eV F4_4d4d=6.32188eV Z=46 3s02 4d08 Pd2+ SOC_3s=0.000eV SOC_4d=0.188eV F0_3s4d=24.34081eV G2_3s4d=0.86506eV F0_4d4d=18.14470eV F2_4d4d=9.09722eV F4_4d4d=5.94563eV Z=46 3s01 4d00 Pd11+ SOC_3s=0.000eV Z=46 3s01 4d01 Pd10+ SOC_3s=0.000eV SOC_4d=0.360eV F0_3s4d=30.97901eV G2_3s4d=1.53870eV Z=46 3s01 4d02 Pd9+ SOC_3s=0.000eV SOC_4d=0.340eV F0_3s4d=30.35352eV G2_3s4d=1.46232eV F0_4d4d=23.47535eV F2_4d4d=12.22445eV F4_4d4d=8.23509eV Z=46 3s01 4d03 Pd8+ SOC_3s=0.000eV SOC_4d=0.320eV F0_3s4d=29.70673eV G2_3s4d=1.38455eV F0_4d4d=22.90651eV F2_4d4d=11.90703eV F4_4d4d=7.99964eV Z=46 3s01 4d04 Pd7+ SOC_3s=0.000eV SOC_4d=0.301eV F0_3s4d=29.04882eV G2_3s4d=1.30842eV F0_4d4d=22.32317eV F2_4d4d=11.57240eV F4_4d4d=7.75108eV Z=46 3s01 4d05 Pd6+ SOC_3s=0.000eV SOC_4d=0.282eV F0_3s4d=28.37120eV G2_3s4d=1.23278eV F0_4d4d=21.71883eV F2_4d4d=11.21832eV F4_4d4d=7.48807eV Z=46 3s01 4d06 Pd5+ SOC_3s=0.000eV SOC_4d=0.263eV F0_3s4d=27.66903eV G2_3s4d=1.15766eV F0_4d4d=21.08755eV F2_4d4d=10.84039eV F4_4d4d=7.20761eV Z=46 3s01 4d07 Pd4+ SOC_3s=0.000eV SOC_4d=0.245eV F0_3s4d=26.93708eV G2_3s4d=1.08320eV F0_4d4d=20.42228eV F2_4d4d=10.43330eV F4_4d4d=6.90611eV Z=46 3s01 4d08 Pd3+ SOC_3s=0.000eV SOC_4d=0.228eV F0_3s4d=26.16741eV G2_3s4d=1.00949eV F0_4d4d=19.71249eV F2_4d4d=9.98944eV F4_4d4d=6.57855eV Z=46 3s01 4d09 Pd2+ SOC_3s=0.000eV SOC_4d=0.211eV F0_3s4d=25.34972eV G2_3s4d=0.93702eV F0_4d4d=18.94265eV F2_4d4d=9.49733eV F4_4d4d=6.21737eV Z=46 2p06 4d00 Pd10+ SOC_2p=104.853eV Z=46 2p06 4d01 Pd9+ SOC_2p=104.844eV SOC_4d=0.316eV F0_2p4d=32.64615eV G1_2p4d=2.84690eV F2_2p4d=3.34936eV G3_2p4d=1.66012eV Z=46 2p06 4d02 Pd8+ SOC_2p=104.836eV SOC_4d=0.297eV F0_2p4d=31.81005eV G1_2p4d=2.67833eV F2_2p4d=3.16274eV G3_2p4d=1.56138eV F0_4d4d=22.25059eV F2_4d4d=11.59241eV F4_4d4d=7.78744eV Z=46 2p06 4d03 Pd7+ SOC_2p=104.830eV SOC_4d=0.277eV F0_2p4d=30.93744eV G1_2p4d=2.50386eV F2_2p4d=2.96977eV G3_2p4d=1.45929eV F0_4d4d=21.64935eV F2_4d4d=11.24954eV F4_4d4d=7.53319eV Z=46 2p06 4d04 Pd6+ SOC_2p=104.825eV SOC_4d=0.258eV F0_2p4d=30.05160eV G1_2p4d=2.33562eV F2_2p4d=2.78225eV G3_2p4d=1.36092eV F0_4d4d=21.02634eV F2_4d4d=10.88504eV F4_4d4d=7.26286eV Z=46 2p06 4d05 Pd5+ SOC_2p=104.822eV SOC_4d=0.240eV F0_2p4d=29.14553eV G1_2p4d=2.17254eV F2_2p4d=2.59911eV G3_2p4d=1.26563eV F0_4d4d=20.37510eV F2_4d4d=10.49477eV F4_4d4d=6.97369eV Z=46 2p06 4d06 Pd4+ SOC_2p=104.820eV SOC_4d=0.222eV F0_2p4d=28.20954eV G1_2p4d=2.01319eV F2_2p4d=2.41892eV G3_2p4d=1.17259eV F0_4d4d=19.68664eV F2_4d4d=10.07298eV F4_4d4d=6.66189eV Z=46 2p06 4d07 Pd3+ SOC_2p=104.819eV SOC_4d=0.205eV F0_2p4d=27.23463eV G1_2p4d=1.85762eV F2_2p4d=2.24164eV G3_2p4d=1.08182eV F0_4d4d=18.94912eV F2_4d4d=9.61124eV F4_4d4d=6.32188eV Z=46 2p06 4d08 Pd2+ SOC_2p=104.820eV SOC_4d=0.188eV F0_2p4d=26.20752eV G1_2p4d=1.70589eV F2_2p4d=2.06721eV G3_2p4d=0.99333eV F0_4d4d=18.14470eV F2_4d4d=9.09722eV F4_4d4d=5.94563eV Z=46 2p05 4d00 Pd11+ SOC_2p=107.124eV Z=46 2p05 4d01 Pd10+ SOC_2p=107.112eV SOC_4d=0.377eV F0_2p4d=34.67209eV G1_2p4d=3.22591eV F2_2p4d=3.75951eV G3_2p4d=1.88587eV Z=46 2p05 4d02 Pd9+ SOC_2p=107.102eV SOC_4d=0.356eV F0_2p4d=33.85546eV G1_2p4d=3.04761eV F2_2p4d=3.56500eV G3_2p4d=1.78111eV F0_4d4d=23.68829eV F2_4d4d=12.34962eV F4_4d4d=8.31525eV Z=46 2p05 4d03 Pd8+ SOC_2p=107.093eV SOC_4d=0.335eV F0_2p4d=33.02642eV G1_2p4d=2.87259eV F2_2p4d=3.37312eV G3_2p4d=1.67836eV F0_4d4d=23.11576eV F2_4d4d=12.02607eV F4_4d4d=8.07512eV Z=46 2p05 4d04 Pd7+ SOC_2p=107.087eV SOC_4d=0.315eV F0_2p4d=32.18287eV G1_2p4d=2.70100eV F2_2p4d=3.18399eV G3_2p4d=1.57771eV F0_4d4d=22.52568eV F2_4d4d=11.68583eV F4_4d4d=7.82246eV Z=46 2p05 4d05 Pd6+ SOC_2p=107.082eV SOC_4d=0.295eV F0_2p4d=31.32183eV G1_2p4d=2.53293eV F2_2p4d=2.99771eV G3_2p4d=1.47920eV F0_4d4d=21.91393eV F2_4d4d=11.32568eV F4_4d4d=7.55505eV Z=46 2p05 4d06 Pd5+ SOC_2p=107.078eV SOC_4d=0.276eV F0_2p4d=30.43924eV G1_2p4d=2.36845eV F2_2p4d=2.81430eV G3_2p4d=1.38287eV F0_4d4d=21.27499eV F2_4d4d=10.94144eV F4_4d4d=7.27006eV Z=46 2p05 4d07 Pd4+ SOC_2p=107.076eV SOC_4d=0.257eV F0_2p4d=29.53579eV G1_2p4d=2.21065eV F2_2p4d=2.63669eV G3_2p4d=1.29051eV F0_4d4d=20.60210eV F2_4d4d=10.52652eV F4_4d4d=6.96298eV Z=46 2p05 4d08 Pd3+ SOC_2p=107.075eV SOC_4d=0.239eV F0_2p4d=28.59500eV G1_2p4d=2.05552eV F2_2p4d=2.46095eV G3_2p4d=1.19977eV F0_4d4d=19.88331eV F2_4d4d=10.07455eV F4_4d4d=6.62973eV Z=46 2p05 4d09 Pd2+ SOC_2p=107.075eV SOC_4d=0.221eV F0_2p4d=27.59711eV G1_2p4d=1.89921eV F2_2p4d=2.28324eV G3_2p4d=1.10840eV F0_4d4d=19.10191eV F2_4d4d=9.57575eV F4_4d4d=6.26408eV Z=46 3p06 4d00 Pd10+ SOC_3p=18.612eV Z=46 3p06 4d01 Pd9+ SOC_3p=18.573eV SOC_4d=0.316eV F0_3p4d=29.57932eV G1_3p4d=1.50998eV F2_3p4d=6.79149eV G3_3p4d=1.55236eV Z=46 3p06 4d02 Pd8+ SOC_3p=18.539eV SOC_4d=0.297eV F0_3p4d=28.91920eV G1_3p4d=1.43050eV F2_3p4d=6.48646eV G3_3p4d=1.46667eV F0_4d4d=22.25059eV F2_4d4d=11.59241eV F4_4d4d=7.78744eV Z=46 3p06 4d03 Pd7+ SOC_3p=18.511eV SOC_4d=0.277eV F0_3p4d=28.23013eV G1_3p4d=1.34778eV F2_3p4d=6.17401eV G3_3p4d=1.37840eV F0_4d4d=21.64935eV F2_4d4d=11.24954eV F4_4d4d=7.53319eV Z=46 3p06 4d04 Pd6+ SOC_3p=18.487eV SOC_4d=0.258eV F0_3p4d=27.52232eV G1_3p4d=1.26590eV F2_3p4d=5.86134eV G3_3p4d=1.29160eV F0_4d4d=21.02634eV F2_4d4d=10.88504eV F4_4d4d=7.26286eV Z=46 3p06 4d05 Pd5+ SOC_3p=18.469eV SOC_4d=0.240eV F0_3p4d=26.78981eV G1_3p4d=1.18466eV F2_3p4d=5.54740eV G3_3p4d=1.20606eV F0_4d4d=20.37510eV F2_4d4d=10.49477eV F4_4d4d=6.97369eV Z=46 3p06 4d06 Pd4+ SOC_3p=18.455eV SOC_4d=0.222eV F0_3p4d=26.02424eV G1_3p4d=1.10370eV F2_3p4d=5.23064eV G3_3p4d=1.12142eV F0_4d4d=19.68664eV F2_4d4d=10.07298eV F4_4d4d=6.66189eV Z=46 3p06 4d07 Pd3+ SOC_3p=18.445eV SOC_4d=0.205eV F0_3p4d=25.21645eV G1_3p4d=1.02318eV F2_3p4d=4.91027eV G3_3p4d=1.03778eV F0_4d4d=18.94912eV F2_4d4d=9.61124eV F4_4d4d=6.32188eV Z=46 3p06 4d08 Pd2+ SOC_3p=18.439eV SOC_4d=0.188eV F0_3p4d=24.35298eV G1_3p4d=0.94327eV F2_3p4d=4.58521eV G3_3p4d=0.95531eV F0_4d4d=18.14470eV F2_4d4d=9.09722eV F4_4d4d=5.94563eV Z=46 3p05 4d00 Pd11+ SOC_3p=19.001eV Z=46 3p05 4d01 Pd10+ SOC_3p=18.956eV SOC_4d=0.360eV F0_3p4d=31.00655eV G1_3p4d=1.65115eV F2_3p4d=7.43230eV G3_3p4d=1.71549eV Z=46 3p05 4d02 Pd9+ SOC_3p=18.916eV SOC_4d=0.340eV F0_3p4d=30.37835eV G1_3p4d=1.57241eV F2_3p4d=7.13215eV G3_3p4d=1.62968eV F0_4d4d=23.47195eV F2_4d4d=12.22315eV F4_4d4d=8.23422eV Z=46 3p05 4d03 Pd8+ SOC_3p=18.882eV SOC_4d=0.320eV F0_3p4d=29.72924eV G1_3p4d=1.49156eV F2_3p4d=6.82690eV G3_3p4d=1.54228eV F0_4d4d=22.90322eV F2_4d4d=11.90579eV F4_4d4d=7.99881eV Z=46 3p05 4d04 Pd7+ SOC_3p=18.853eV SOC_4d=0.301eV F0_3p4d=29.06937eV G1_3p4d=1.41206eV F2_3p4d=6.52314eV G3_3p4d=1.45682eV F0_4d4d=22.32004eV F2_4d4d=11.57120eV F4_4d4d=7.75028eV Z=46 3p05 4d05 Pd6+ SOC_3p=18.829eV SOC_4d=0.282eV F0_3p4d=28.38942eV G1_3p4d=1.33255eV F2_3p4d=6.21741eV G3_3p4d=1.37191eV F0_4d4d=21.71542eV F2_4d4d=11.21695eV F4_4d4d=7.48715eV Z=46 3p05 4d06 Pd5+ SOC_3p=18.810eV SOC_4d=0.263eV F0_3p4d=27.68541eV G1_3p4d=1.25318eV F2_3p4d=5.90944eV G3_3p4d=1.28770eV F0_4d4d=21.08410eV F2_4d4d=10.83898eV F4_4d4d=7.20666eV Z=46 3p05 4d07 Pd4+ SOC_3p=18.796eV SOC_4d=0.245eV F0_3p4d=26.95181eV G1_3p4d=1.17411eV F2_3p4d=5.59881eV G3_3p4d=1.20432eV F0_4d4d=20.41885eV F2_4d4d=10.43186eV F4_4d4d=6.90515eV Z=46 3p05 4d08 Pd3+ SOC_3p=18.785eV SOC_4d=0.228eV F0_3p4d=26.18067eV G1_3p4d=1.09545eV F2_3p4d=5.28480eV G3_3p4d=1.12188eV F0_4d4d=19.70911eV F2_4d4d=9.98800eV F4_4d4d=6.57758eV Z=46 3p05 4d09 Pd2+ SOC_3p=18.779eV SOC_4d=0.211eV F0_3p4d=25.36162eV G1_3p4d=1.01778eV F2_3p4d=4.96715eV G3_3p4d=1.04093eV F0_4d4d=18.93934eV F2_4d4d=9.49592eV F4_4d4d=6.21643eV Z=47 1s02 4d00 Ag11+ SOC_1s=0.000eV Z=47 1s02 4d01 Ag10+ SOC_1s=0.000eV SOC_4d=0.381eV F0_1s4d=35.07002eV G2_1s4d=0.06655eV Z=47 1s02 4d02 Ag9+ SOC_1s=0.000eV SOC_4d=0.360eV F0_1s4d=34.22342eV G2_1s4d=0.06262eV F0_4d4d=23.65323eV F2_4d4d=12.32754eV F4_4d4d=8.29891eV Z=47 1s02 4d03 Ag8+ SOC_1s=0.000eV SOC_4d=0.339eV F0_1s4d=33.36499eV G2_1s4d=0.05881eV F0_4d4d=23.07739eV F2_4d4d=12.00222eV F4_4d4d=8.05752eV Z=47 1s02 4d04 Ag7+ SOC_1s=0.000eV SOC_4d=0.318eV F0_1s4d=32.49427eV G2_1s4d=0.05512eV F0_4d4d=22.48401eV F2_4d4d=11.65973eV F4_4d4d=7.80325eV Z=47 1s02 4d05 Ag6+ SOC_1s=0.000eV SOC_4d=0.298eV F0_1s4d=31.61778eV G2_1s4d=0.05165eV F0_4d4d=21.87022eV F2_4d4d=11.29547eV F4_4d4d=7.53279eV Z=47 1s02 4d06 Ag5+ SOC_1s=0.000eV SOC_4d=0.278eV F0_1s4d=30.69480eV G2_1s4d=0.04805eV F0_4d4d=21.22553eV F2_4d4d=10.91065eV F4_4d4d=7.24757eV Z=47 1s02 4d07 Ag4+ SOC_1s=0.000eV SOC_4d=0.259eV F0_1s4d=29.75403eV G2_1s4d=0.04465eV F0_4d4d=20.54705eV F2_4d4d=10.49456eV F4_4d4d=6.93980eV Z=47 1s02 4d08 Ag3+ SOC_1s=0.000eV SOC_4d=0.240eV F0_1s4d=28.78135eV G2_1s4d=0.04137eV F0_4d4d=19.82297eV F2_4d4d=10.04032eV F4_4d4d=6.60504eV Z=47 1s02 4d09 Ag2+ SOC_1s=0.000eV SOC_4d=0.222eV F0_1s4d=27.76200eV G2_1s4d=0.03820eV F0_4d4d=19.03677eV F2_4d4d=9.53717eV F4_4d4d=6.23639eV Z=47 1s01 4d00 Ag12+ SOC_1s=0.000eV Z=47 1s01 4d01 Ag11+ SOC_1s=0.000eV SOC_4d=0.457eV F0_1s4d=37.14301eV G2_1s4d=0.07888eV Z=47 1s01 4d02 Ag10+ SOC_1s=0.000eV SOC_4d=0.434eV F0_1s4d=36.33083eV G2_1s4d=0.07472eV F0_4d4d=25.06557eV F2_4d4d=13.05782eV F4_4d4d=8.80567eV Z=47 1s01 4d03 Ag9+ SOC_1s=0.000eV SOC_4d=0.410eV F0_1s4d=35.48441eV G2_1s4d=0.07043eV F0_4d4d=24.50675eV F2_4d4d=12.74900eV F4_4d4d=8.57674eV Z=47 1s01 4d04 Ag8+ SOC_1s=0.000eV SOC_4d=0.387eV F0_1s4d=34.63483eV G2_1s4d=0.06633eV F0_4d4d=23.93589eV F2_4d4d=12.42578eV F4_4d4d=8.33675eV Z=47 1s01 4d05 Ag7+ SOC_1s=0.000eV SOC_4d=0.364eV F0_1s4d=33.77540eV G2_1s4d=0.06239eV F0_4d4d=23.34822eV F2_4d4d=12.08555eV F4_4d4d=8.08399eV Z=47 1s01 4d06 Ag6+ SOC_1s=0.000eV SOC_4d=0.342eV F0_1s4d=32.89999eV G2_1s4d=0.05856eV F0_4d4d=22.73951eV F2_4d4d=11.72594eV F4_4d4d=7.81690eV Z=47 1s01 4d07 Ag5+ SOC_1s=0.000eV SOC_4d=0.321eV F0_1s4d=32.00479eV G2_1s4d=0.05484eV F0_4d4d=22.10453eV F2_4d4d=11.34297eV F4_4d4d=7.53278eV Z=47 1s01 4d08 Ag4+ SOC_1s=0.000eV SOC_4d=0.300eV F0_1s4d=31.08462eV G2_1s4d=0.05123eV F0_4d4d=21.43617eV F2_4d4d=10.93142eV F4_4d4d=7.22816eV Z=47 1s01 4d09 Ag3+ SOC_1s=0.000eV SOC_4d=0.280eV F0_1s4d=30.13237eV G2_1s4d=0.04773eV F0_4d4d=20.72457eV F2_4d4d=10.48419eV F4_4d4d=6.89832eV Z=47 2s02 4d00 Ag11+ SOC_2s=0.000eV Z=47 2s02 4d01 Ag10+ SOC_2s=0.000eV SOC_4d=0.381eV F0_2s4d=34.51633eV G2_2s4d=2.92071eV Z=47 2s02 4d02 Ag9+ SOC_2s=0.000eV SOC_4d=0.360eV F0_2s4d=33.70172eV G2_2s4d=2.75839eV F0_4d4d=23.65323eV F2_4d4d=12.32754eV F4_4d4d=8.29891eV Z=47 2s02 4d03 Ag8+ SOC_2s=0.000eV SOC_4d=0.339eV F0_2s4d=32.87448eV G2_2s4d=2.59907eV F0_4d4d=23.07739eV F2_4d4d=12.00222eV F4_4d4d=8.05752eV Z=47 2s02 4d04 Ag7+ SOC_2s=0.000eV SOC_4d=0.318eV F0_2s4d=32.03400eV G2_2s4d=2.44361eV F0_4d4d=22.48401eV F2_4d4d=11.65973eV F4_4d4d=7.80325eV Z=47 2s02 4d05 Ag6+ SOC_2s=0.000eV SOC_4d=0.298eV F0_2s4d=31.18609eV G2_2s4d=2.29597eV F0_4d4d=21.87022eV F2_4d4d=11.29547eV F4_4d4d=7.53279eV Z=47 2s02 4d06 Ag5+ SOC_2s=0.000eV SOC_4d=0.278eV F0_2s4d=30.29282eV G2_2s4d=2.14129eV F0_4d4d=21.22553eV F2_4d4d=10.91065eV F4_4d4d=7.24757eV Z=47 2s02 4d07 Ag4+ SOC_2s=0.000eV SOC_4d=0.259eV F0_2s4d=29.38027eV G2_2s4d=1.99364eV F0_4d4d=20.54705eV F2_4d4d=10.49456eV F4_4d4d=6.93980eV Z=47 2s02 4d08 Ag3+ SOC_2s=0.000eV SOC_4d=0.240eV F0_2s4d=28.43481eV G2_2s4d=1.85063eV F0_4d4d=19.82297eV F2_4d4d=10.04032eV F4_4d4d=6.60504eV Z=47 2s02 4d09 Ag2+ SOC_2s=0.000eV SOC_4d=0.222eV F0_2s4d=27.44191eV G2_2s4d=1.71106eV F0_4d4d=19.03677eV F2_4d4d=9.53717eV F4_4d4d=6.23639eV Z=47 2s01 4d00 Ag12+ SOC_2s=0.000eV Z=47 2s01 4d01 Ag11+ SOC_2s=0.000eV SOC_4d=0.448eV F0_2s4d=36.46491eV G2_2s4d=3.27880eV Z=47 2s01 4d02 Ag10+ SOC_2s=0.000eV SOC_4d=0.425eV F0_2s4d=35.67952eV G2_2s4d=3.11344eV F0_4d4d=25.05565eV F2_4d4d=13.05866eV F4_4d4d=8.80799eV Z=47 2s01 4d03 Ag9+ SOC_2s=0.000eV SOC_4d=0.401eV F0_2s4d=34.87405eV G2_2s4d=2.94631eV F0_4d4d=24.50038eV F2_4d4d=12.75140eV F4_4d4d=8.58013eV Z=47 2s01 4d04 Ag8+ SOC_2s=0.000eV SOC_4d=0.379eV F0_2s4d=34.06547eV G2_2s4d=2.78603eV F0_4d4d=23.93286eV F2_4d4d=12.42912eV F4_4d4d=8.34075eV Z=47 2s01 4d05 Ag7+ SOC_2s=0.000eV SOC_4d=0.357eV F0_2s4d=33.24305eV G2_2s4d=2.62876eV F0_4d4d=23.34840eV F2_4d4d=12.09066eV F4_4d4d=8.08923eV Z=47 2s01 4d06 Ag6+ SOC_2s=0.000eV SOC_4d=0.336eV F0_2s4d=32.40401eV G2_2s4d=2.47457eV F0_4d4d=22.74308eV F2_4d4d=11.73296eV F4_4d4d=7.82348eV Z=47 2s01 4d07 Ag5+ SOC_2s=0.000eV SOC_4d=0.315eV F0_2s4d=31.54464eV G2_2s4d=2.32356eV F0_4d4d=22.11177eV F2_4d4d=11.35211eV F4_4d4d=7.54084eV Z=47 2s01 4d08 Ag4+ SOC_2s=0.000eV SOC_4d=0.295eV F0_2s4d=30.65985eV G2_2s4d=2.17578eV F0_4d4d=21.44747eV F2_4d4d=10.94293eV F4_4d4d=7.23785eV Z=47 2s01 4d09 Ag3+ SOC_2s=0.000eV SOC_4d=0.275eV F0_2s4d=29.74246eV G2_2s4d=2.03129eV F0_4d4d=20.74031eV F2_4d4d=10.49834eV F4_4d4d=6.90981eV Z=47 3s02 4d00 Ag11+ SOC_3s=0.000eV Z=47 3s02 4d01 Ag10+ SOC_3s=0.000eV SOC_4d=0.381eV F0_3s4d=31.25687eV G2_3s4d=1.52874eV Z=47 3s02 4d02 Ag9+ SOC_3s=0.000eV SOC_4d=0.360eV F0_3s4d=30.61785eV G2_3s4d=1.45142eV F0_4d4d=23.65323eV F2_4d4d=12.32754eV F4_4d4d=8.29891eV Z=47 3s02 4d03 Ag8+ SOC_3s=0.000eV SOC_4d=0.339eV F0_3s4d=29.96401eV G2_3s4d=1.37443eV F0_4d4d=23.07739eV F2_4d4d=12.00222eV F4_4d4d=8.05752eV Z=47 3s02 4d04 Ag7+ SOC_3s=0.000eV SOC_4d=0.318eV F0_3s4d=29.29368eV G2_3s4d=1.29811eV F0_4d4d=22.48401eV F2_4d4d=11.65973eV F4_4d4d=7.80325eV Z=47 3s02 4d05 Ag6+ SOC_3s=0.000eV SOC_4d=0.298eV F0_3s4d=28.60813eV G2_3s4d=1.22380eV F0_4d4d=21.87022eV F2_4d4d=11.29547eV F4_4d4d=7.53279eV Z=47 3s02 4d06 Ag5+ SOC_3s=0.000eV SOC_4d=0.278eV F0_3s4d=27.88589eV G2_3s4d=1.14681eV F0_4d4d=21.22553eV F2_4d4d=10.91065eV F4_4d4d=7.24757eV Z=47 3s02 4d07 Ag4+ SOC_3s=0.000eV SOC_4d=0.259eV F0_3s4d=27.13726eV G2_3s4d=1.07172eV F0_4d4d=20.54705eV F2_4d4d=10.49456eV F4_4d4d=6.93980eV Z=47 3s02 4d08 Ag3+ SOC_3s=0.000eV SOC_4d=0.240eV F0_3s4d=26.35117eV G2_3s4d=0.99786eV F0_4d4d=19.82297eV F2_4d4d=10.04032eV F4_4d4d=6.60504eV Z=47 3s02 4d09 Ag2+ SOC_3s=0.000eV SOC_4d=0.222eV F0_3s4d=25.51433eV G2_3s4d=0.92493eV F0_4d4d=19.03677eV F2_4d4d=9.53717eV F4_4d4d=6.23639eV Z=47 3s01 4d00 Ag12+ SOC_3s=0.000eV Z=47 3s01 4d01 Ag11+ SOC_3s=0.000eV SOC_4d=0.430eV F0_3s4d=32.62510eV G2_3s4d=1.66771eV Z=47 3s01 4d02 Ag10+ SOC_3s=0.000eV SOC_4d=0.408eV F0_3s4d=32.01778eV G2_3s4d=1.59107eV F0_4d4d=24.83735eV F2_4d4d=12.93283eV F4_4d4d=8.72723eV Z=47 3s01 4d03 Ag9+ SOC_3s=0.000eV SOC_4d=0.386eV F0_3s4d=31.40190eV G2_3s4d=1.51558eV F0_4d4d=24.28991eV F2_4d4d=12.62776eV F4_4d4d=8.50084eV Z=47 3s01 4d04 Ag8+ SOC_3s=0.000eV SOC_4d=0.365eV F0_3s4d=30.77037eV G2_3s4d=1.44010eV F0_4d4d=23.72777eV F2_4d4d=12.30936eV F4_4d4d=8.26434eV Z=47 3s01 4d05 Ag7+ SOC_3s=0.000eV SOC_4d=0.343eV F0_3s4d=30.11659eV G2_3s4d=1.36334eV F0_4d4d=23.14722eV F2_4d4d=11.97742eV F4_4d4d=8.01774eV Z=47 3s01 4d06 Ag6+ SOC_3s=0.000eV SOC_4d=0.323eV F0_3s4d=29.44976eV G2_3s4d=1.28848eV F0_4d4d=22.54858eV F2_4d4d=11.62530eV F4_4d4d=7.75603eV Z=47 3s01 4d07 Ag5+ SOC_3s=0.000eV SOC_4d=0.303eV F0_3s4d=28.76003eV G2_3s4d=1.21423eV F0_4d4d=21.92427eV F2_4d4d=11.25030eV F4_4d4d=7.47758eV Z=47 3s01 4d08 Ag4+ SOC_3s=0.000eV SOC_4d=0.283eV F0_3s4d=28.04226eV G2_3s4d=1.14067eV F0_4d4d=21.26744eV F2_4d4d=10.84732eV F4_4d4d=7.17898eV Z=47 3s01 4d09 Ag3+ SOC_3s=0.000eV SOC_4d=0.264eV F0_3s4d=27.28952eV G2_3s4d=1.06792eV F0_4d4d=20.56857eV F2_4d4d=10.40943eV F4_4d4d=6.85563eV Z=47 2p06 4d00 Ag11+ SOC_2p=115.532eV Z=47 2p06 4d01 Ag10+ SOC_2p=115.520eV SOC_4d=0.381eV F0_2p4d=34.66360eV G1_2p4d=3.16928eV F2_2p4d=3.70585eV G3_2p4d=1.85009eV Z=47 2p06 4d02 Ag9+ SOC_2p=115.510eV SOC_4d=0.360eV F0_2p4d=33.84047eV G1_2p4d=2.99276eV F2_2p4d=3.51256eV G3_2p4d=1.74654eV F0_4d4d=23.65323eV F2_4d4d=12.32754eV F4_4d4d=8.29891eV Z=47 2p06 4d03 Ag8+ SOC_2p=115.501eV SOC_4d=0.339eV F0_2p4d=33.00492eV G1_2p4d=2.81957eV F2_2p4d=3.32195eV G3_2p4d=1.64502eV F0_4d4d=23.07739eV F2_4d4d=12.00222eV F4_4d4d=8.05752eV Z=47 2p06 4d04 Ag7+ SOC_2p=115.495eV SOC_4d=0.318eV F0_2p4d=32.15640eV G1_2p4d=2.65063eV F2_2p4d=3.13492eV G3_2p4d=1.54608eV F0_4d4d=22.48401eV F2_4d4d=11.65973eV F4_4d4d=7.80325eV Z=47 2p06 4d05 Ag6+ SOC_2p=115.489eV SOC_4d=0.298eV F0_2p4d=31.30089eV G1_2p4d=2.49024eV F2_2p4d=2.95562eV G3_2p4d=1.45220eV F0_4d4d=21.87022eV F2_4d4d=11.29547eV F4_4d4d=7.53279eV Z=47 2p06 4d06 Ag5+ SOC_2p=115.486eV SOC_4d=0.278eV F0_2p4d=30.39971eV G1_2p4d=2.32226eV F2_2p4d=2.76835eV G3_2p4d=1.35398eV F0_4d4d=21.22553eV F2_4d4d=10.91065eV F4_4d4d=7.24757eV Z=47 2p06 4d07 Ag4+ SOC_2p=115.484eV SOC_4d=0.259eV F0_2p4d=29.47966eV G1_2p4d=2.16196eV F2_2p4d=2.58789eV G3_2p4d=1.26031eV F0_4d4d=20.54705eV F2_4d4d=10.49456eV F4_4d4d=6.93980eV Z=47 2p06 4d08 Ag3+ SOC_2p=115.484eV SOC_4d=0.240eV F0_2p4d=28.52696eV G1_2p4d=2.00674eV F2_2p4d=2.41165eV G3_2p4d=1.16965eV F0_4d4d=19.82297eV F2_4d4d=10.04032eV F4_4d4d=6.60504eV Z=47 2p06 4d09 Ag2+ SOC_2p=115.484eV SOC_4d=0.222eV F0_2p4d=27.52703eV G1_2p4d=1.85529eV F2_2p4d=2.23828eV G3_2p4d=1.08125eV F0_4d4d=19.03677eV F2_4d4d=9.53717eV F4_4d4d=6.23639eV Z=47 2p05 4d00 Ag12+ SOC_2p=117.984eV Z=47 2p05 4d01 Ag11+ SOC_2p=117.969eV SOC_4d=0.450eV F0_2p4d=36.64740eV G1_2p4d=3.55333eV F2_2p4d=4.11908eV G3_2p4d=2.07937eV Z=47 2p05 4d02 Ag10+ SOC_2p=117.956eV SOC_4d=0.427eV F0_2p4d=35.85888eV G1_2p4d=3.37668eV F2_2p4d=3.92702eV G3_2p4d=1.97539eV F0_4d4d=25.06158eV F2_4d4d=13.05995eV F4_4d4d=8.80848eV Z=47 2p05 4d03 Ag9+ SOC_2p=117.945eV SOC_4d=0.404eV F0_2p4d=35.04015eV G1_2p4d=3.19334eV F2_2p4d=3.72811eV G3_2p4d=1.86761eV F0_4d4d=24.50523eV F2_4d4d=12.75293eV F4_4d4d=8.58085eV Z=47 2p05 4d04 Ag8+ SOC_2p=117.936eV SOC_4d=0.381eV F0_2p4d=34.22195eV G1_2p4d=3.01911eV F2_2p4d=3.53743eV G3_2p4d=1.76526eV F0_4d4d=23.93718eV F2_4d4d=12.43038eV F4_4d4d=8.34128eV Z=47 2p05 4d05 Ag7+ SOC_2p=117.929eV SOC_4d=0.359eV F0_2p4d=33.39011eV G1_2p4d=2.84822eV F2_2p4d=3.34946eV G3_2p4d=1.66494eV F0_4d4d=23.35218eV F2_4d4d=12.09162eV F4_4d4d=8.08956eV Z=47 2p05 4d06 Ag6+ SOC_2p=117.924eV SOC_4d=0.338eV F0_2p4d=32.54186eV G1_2p4d=2.68076eV F2_2p4d=3.16427eV G3_2p4d=1.56672eV F0_4d4d=22.74630eV F2_4d4d=11.73362eV F4_4d4d=7.82360eV Z=47 2p05 4d07 Ag5+ SOC_2p=117.920eV SOC_4d=0.317eV F0_2p4d=31.67347eV G1_2p4d=2.51680eV F2_2p4d=2.98189eV G3_2p4d=1.47062eV F0_4d4d=22.11440eV F2_4d4d=11.35244eV F4_4d4d=7.54073eV Z=47 2p05 4d08 Ag4+ SOC_2p=117.918eV SOC_4d=0.296eV F0_2p4d=30.77984eV G1_2p4d=2.35642eV F2_2p4d=2.80235eV G3_2p4d=1.37667eV F0_4d4d=21.44947eV F2_4d4d=10.94292eV F4_4d4d=7.23750eV Z=47 2p05 4d09 Ag3+ SOC_2p=117.917eV SOC_4d=0.276eV F0_2p4d=29.85381eV G1_2p4d=2.19966eV F2_2p4d=2.62563eV G3_2p4d=1.28491eV F0_4d4d=20.74164eV F2_4d4d=10.49794eV F4_4d4d=6.90921eV Z=47 3p06 4d00 Ag11+ SOC_3p=20.799eV Z=47 3p06 4d01 Ag10+ SOC_3p=20.752eV SOC_4d=0.381eV F0_3p4d=31.28689eV G1_3p4d=1.64260eV F2_3p4d=7.39375eV G3_3p4d=1.70070eV Z=47 3p06 4d02 Ag9+ SOC_3p=20.711eV SOC_4d=0.360eV F0_3p4d=30.64542eV G1_3p4d=1.56258eV F2_3p4d=7.09013eV G3_3p4d=1.61389eV F0_4d4d=23.65323eV F2_4d4d=12.32754eV F4_4d4d=8.29891eV Z=47 3p06 4d03 Ag8+ SOC_3p=20.676eV SOC_4d=0.339eV F0_3p4d=29.98935eV G1_3p4d=1.48242eV F2_3p4d=6.78520eV G3_3p4d=1.52749eV F0_4d4d=23.07739eV F2_4d4d=12.00222eV F4_4d4d=8.05752eV Z=47 3p06 4d04 Ag7+ SOC_3p=20.646eV SOC_4d=0.318eV F0_3p4d=29.31697eV G1_3p4d=1.40250eV F2_3p4d=6.47928eV G3_3p4d=1.44190eV F0_4d4d=22.48401eV F2_4d4d=11.65973eV F4_4d4d=7.80325eV Z=47 3p06 4d05 Ag6+ SOC_3p=20.622eV SOC_4d=0.298eV F0_3p4d=28.62962eV G1_3p4d=1.32432eV F2_3p4d=6.17467eV G3_3p4d=1.35860eV F0_4d4d=21.87022eV F2_4d4d=11.29547eV F4_4d4d=7.53279eV Z=47 3p06 4d06 Ag5+ SOC_3p=20.603eV SOC_4d=0.278eV F0_3p4d=27.90563eV G1_3p4d=1.24272eV F2_3p4d=5.86143eV G3_3p4d=1.27248eV F0_4d4d=21.22553eV F2_4d4d=10.91065eV F4_4d4d=7.24757eV Z=47 3p06 4d07 Ag4+ SOC_3p=20.588eV SOC_4d=0.259eV F0_3p4d=27.15544eV G1_3p4d=1.16280eV F2_3p4d=5.54806eV G3_3p4d=1.18858eV F0_4d4d=20.54705eV F2_4d4d=10.49456eV F4_4d4d=6.93980eV Z=47 3p06 4d08 Ag3+ SOC_3p=20.578eV SOC_4d=0.240eV F0_3p4d=26.36792eV G1_3p4d=1.08383eV F2_3p4d=5.23228eV G3_3p4d=1.10614eV F0_4d4d=19.82297eV F2_4d4d=10.04032eV F4_4d4d=6.60504eV Z=47 3p06 4d09 Ag2+ SOC_3p=20.572eV SOC_4d=0.222eV F0_3p4d=25.52973eV G1_3p4d=1.00553eV F2_3p4d=4.91236eV G3_3p4d=1.02488eV F0_4d4d=19.03677eV F2_4d4d=9.53717eV F4_4d4d=6.23639eV Z=47 3p05 4d00 Ag12+ SOC_3p=21.223eV Z=47 3p05 4d01 Ag11+ SOC_3p=21.170eV SOC_4d=0.430eV F0_3p4d=32.66089eV G1_3p4d=1.78132eV F2_3p4d=8.01998eV G3_3p4d=1.86110eV Z=47 3p05 4d02 Ag10+ SOC_3p=21.122eV SOC_4d=0.408eV F0_3p4d=32.05049eV G1_3p4d=1.70300eV F2_3p4d=7.72302eV G3_3p4d=1.77532eV F0_4d4d=24.83464eV F2_4d4d=12.93200eV F4_4d4d=8.72667eV Z=47 3p05 4d03 Ag9+ SOC_3p=21.081eV SOC_4d=0.386eV F0_3p4d=31.43148eV G1_3p4d=1.62532eV F2_3p4d=7.42646eV G3_3p4d=1.69068eV F0_4d4d=24.28689eV F2_4d4d=12.62682eV F4_4d4d=8.50021eV Z=47 3p05 4d04 Ag8+ SOC_3p=21.045eV SOC_4d=0.365eV F0_3p4d=30.79768eV G1_3p4d=1.54727eV F2_3p4d=7.12787eV G3_3p4d=1.60613eV F0_4d4d=23.72474eV F2_4d4d=12.30822eV F4_4d4d=8.26356eV Z=47 3p05 4d05 Ag7+ SOC_3p=21.015eV SOC_4d=0.343eV F0_3p4d=30.14183eV G1_3p4d=1.46728eV F2_3p4d=6.82431eV G3_3p4d=1.52011eV F0_4d4d=23.14450eV F2_4d4d=11.97646eV F4_4d4d=8.01709eV Z=47 3p05 4d06 Ag6+ SOC_3p=20.990eV SOC_4d=0.323eV F0_3p4d=29.47274eV G1_3p4d=1.38889eV F2_3p4d=6.52199eV G3_3p4d=1.43622eV F0_4d4d=22.54575eV F2_4d4d=11.62425eV F4_4d4d=7.75531eV Z=47 3p05 4d07 Ag5+ SOC_3p=20.970eV SOC_4d=0.303eV F0_3p4d=28.78079eV G1_3p4d=1.31069eV F2_3p4d=6.21750eV G3_3p4d=1.35302eV F0_4d4d=21.92122eV F2_4d4d=11.24912eV F4_4d4d=7.47678eV Z=47 3p05 4d08 Ag4+ SOC_3p=20.955eV SOC_4d=0.283eV F0_3p4d=28.06122eV G1_3p4d=1.23284eV F2_3p4d=5.91059eV G3_3p4d=1.27067eV F0_4d4d=21.26440eV F2_4d4d=10.84611eV F4_4d4d=7.17816eV Z=47 3p05 4d09 Ag3+ SOC_3p=20.945eV SOC_4d=0.264eV F0_3p4d=27.30684eV G1_3p4d=1.15548eV F2_3p4d=5.60062eV G3_3p4d=1.18929eV F0_4d4d=20.56557eV F2_4d4d=10.40821eV F4_4d4d=6.85480eV Z=48 1s02 4d00 Cd12+ SOC_1s=0.000eV Z=48 1s02 4d01 Cd11+ SOC_1s=0.000eV SOC_4d=0.455eV F0_1s4d=37.09620eV G2_1s4d=0.07472eV Z=48 1s02 4d02 Cd10+ SOC_1s=0.000eV SOC_4d=0.431eV F0_1s4d=36.26990eV G2_1s4d=0.07064eV F0_4d4d=25.03005eV F2_4d4d=13.04258eV F4_4d4d=8.79562eV Z=48 1s02 4d03 Cd9+ SOC_1s=0.000eV SOC_4d=0.408eV F0_1s4d=35.43374eV G2_1s4d=0.06667eV F0_4d4d=24.47298eV F2_4d4d=12.73223eV F4_4d4d=8.56541eV Z=48 1s02 4d04 Cd8+ SOC_1s=0.000eV SOC_4d=0.385eV F0_1s4d=34.58631eV G2_1s4d=0.06281eV F0_4d4d=23.90171eV F2_4d4d=12.40794eV F4_4d4d=8.32462eV Z=48 1s02 4d05 Cd7+ SOC_1s=0.000eV SOC_4d=0.363eV F0_1s4d=33.72571eV G2_1s4d=0.05907eV F0_4d4d=23.31331eV F2_4d4d=12.06731eV F4_4d4d=8.07157eV Z=48 1s02 4d06 Cd6+ SOC_1s=0.000eV SOC_4d=0.341eV F0_1s4d=32.84934eV G2_1s4d=0.05543eV F0_4d4d=22.70397eV F2_4d4d=11.70733eV F4_4d4d=7.80422eV Z=48 1s02 4d07 Cd5+ SOC_1s=0.000eV SOC_4d=0.320eV F0_1s4d=31.96050eV G2_1s4d=0.05197eV F0_4d4d=22.06922eV F2_4d4d=11.32282eV F4_4d4d=7.51894eV Z=48 1s02 4d08 Cd4+ SOC_1s=0.000eV SOC_4d=0.299eV F0_1s4d=31.04368eV G2_1s4d=0.04858eV F0_4d4d=21.40050eV F2_4d4d=10.91008eV F4_4d4d=7.21344eV Z=48 1s02 4d09 Cd3+ SOC_1s=0.000eV SOC_4d=0.279eV F0_1s4d=30.08238eV G2_1s4d=0.04519eV F0_4d4d=20.68708eV F2_4d4d=10.46350eV F4_4d4d=6.88416eV Z=48 1s01 4d00 Cd13+ SOC_1s=0.000eV Z=48 1s01 4d01 Cd12+ SOC_1s=0.000eV SOC_4d=0.539eV F0_1s4d=39.13868eV G2_1s4d=0.08762eV Z=48 1s01 4d02 Cd11+ SOC_1s=0.000eV SOC_4d=0.513eV F0_1s4d=38.32880eV G2_1s4d=0.08316eV F0_4d4d=26.41636eV F2_4d4d=13.75951eV F4_4d4d=9.29284eV Z=48 1s01 4d03 Cd10+ SOC_1s=0.000eV SOC_4d=0.488eV F0_1s4d=37.52172eV G2_1s4d=0.07894eV F0_4d4d=25.87633eV F2_4d4d=13.45997eV F4_4d4d=9.07069eV Z=48 1s01 4d04 Cd9+ SOC_1s=0.000eV SOC_4d=0.463eV F0_1s4d=36.69564eV G2_1s4d=0.07472eV F0_4d4d=25.32377eV F2_4d4d=13.15082eV F4_4d4d=8.84118eV Z=48 1s01 4d05 Cd8+ SOC_1s=0.000eV SOC_4d=0.438eV F0_1s4d=35.85016eV G2_1s4d=0.07052eV F0_4d4d=24.75589eV F2_4d4d=12.82919eV F4_4d4d=8.60228eV Z=48 1s01 4d06 Cd7+ SOC_1s=0.000eV SOC_4d=0.413eV F0_1s4d=35.00144eV G2_1s4d=0.06654eV F0_4d4d=24.17278eV F2_4d4d=12.49024eV F4_4d4d=8.35033eV Z=48 1s01 4d07 Cd6+ SOC_1s=0.000eV SOC_4d=0.390eV F0_1s4d=34.13759eV G2_1s4d=0.06267eV F0_4d4d=23.56929eV F2_4d4d=12.13248eV F4_4d4d=8.08448eV Z=48 1s01 4d08 Cd5+ SOC_1s=0.000eV SOC_4d=0.367eV F0_1s4d=33.25522eV G2_1s4d=0.05891eV F0_4d4d=22.94059eV F2_4d4d=11.75221eV F4_4d4d=7.80224eV Z=48 1s01 4d09 Cd4+ SOC_1s=0.000eV SOC_4d=0.345eV F0_1s4d=32.34966eV G2_1s4d=0.05525eV F0_4d4d=22.28009eV F2_4d4d=11.34457eV F4_4d4d=7.50037eV Z=48 2s02 4d00 Cd12+ SOC_2s=0.000eV Z=48 2s02 4d01 Cd11+ SOC_2s=0.000eV SOC_4d=0.455eV F0_2s4d=36.48136eV G2_2s4d=3.21522eV Z=48 2s02 4d02 Cd10+ SOC_2s=0.000eV SOC_4d=0.431eV F0_2s4d=35.68784eV G2_2s4d=3.05107eV F0_4d4d=25.03005eV F2_4d4d=13.04258eV F4_4d4d=8.79562eV Z=48 2s02 4d03 Cd9+ SOC_2s=0.000eV SOC_4d=0.408eV F0_2s4d=34.88369eV G2_2s4d=2.88966eV F0_4d4d=24.47298eV F2_4d4d=12.73223eV F4_4d4d=8.56541eV Z=48 2s02 4d04 Cd8+ SOC_2s=0.000eV SOC_4d=0.385eV F0_2s4d=34.06749eV G2_2s4d=2.73114eV F0_4d4d=23.90171eV F2_4d4d=12.40794eV F4_4d4d=8.32462eV Z=48 2s02 4d05 Cd7+ SOC_2s=0.000eV SOC_4d=0.363eV F0_2s4d=33.23733eV G2_2s4d=2.57566eV F0_4d4d=23.31331eV F2_4d4d=12.06731eV F4_4d4d=8.07157eV Z=48 2s02 4d06 Cd6+ SOC_2s=0.000eV SOC_4d=0.341eV F0_2s4d=32.39060eV G2_2s4d=2.42332eV F0_4d4d=22.70397eV F2_4d4d=11.70733eV F4_4d4d=7.80422eV Z=48 2s02 4d07 Cd5+ SOC_2s=0.000eV SOC_4d=0.320eV F0_2s4d=31.53007eV G2_2s4d=2.27721eV F0_4d4d=22.06922eV F2_4d4d=11.32282eV F4_4d4d=7.51894eV Z=48 2s02 4d08 Cd4+ SOC_2s=0.000eV SOC_4d=0.299eV F0_2s4d=30.64100eV G2_2s4d=2.13314eV F0_4d4d=21.40050eV F2_4d4d=10.91008eV F4_4d4d=7.21344eV Z=48 2s02 4d09 Cd3+ SOC_2s=0.000eV SOC_4d=0.279eV F0_2s4d=29.70765eV G2_2s4d=1.98728eV F0_4d4d=20.68708eV F2_4d4d=10.46350eV F4_4d4d=6.88416eV Z=48 2s01 4d00 Cd13+ SOC_2s=0.000eV Z=48 2s01 4d01 Cd12+ SOC_2s=0.000eV SOC_4d=0.528eV F0_2s4d=38.38180eV G2_2s4d=3.57191eV Z=48 2s01 4d02 Cd11+ SOC_2s=0.000eV SOC_4d=0.503eV F0_2s4d=37.61726eV G2_2s4d=3.40666eV F0_4d4d=26.40336eV F2_4d4d=13.75646eV F4_4d4d=9.29229eV Z=48 2s01 4d03 Cd10+ SOC_2s=0.000eV SOC_4d=0.479eV F0_2s4d=36.84660eV G2_2s4d=3.24513eV F0_4d4d=25.86602eV F2_4d4d=13.45885eV F4_4d4d=9.07153eV Z=48 2s01 4d04 Cd9+ SOC_2s=0.000eV SOC_4d=0.453eV F0_2s4d=36.04658eV G2_2s4d=3.07711eV F0_4d4d=25.31373eV F2_4d4d=13.15272eV F4_4d4d=8.84439eV Z=48 2s01 4d05 Cd8+ SOC_2s=0.000eV SOC_4d=0.429eV F0_2s4d=35.24781eV G2_2s4d=2.91770eV F0_4d4d=24.75019eV F2_4d4d=12.83126eV F4_4d4d=8.60546eV Z=48 2s01 4d06 Cd7+ SOC_2s=0.000eV SOC_4d=0.406eV F0_2s4d=34.43593eV G2_2s4d=2.76121eV F0_4d4d=24.17019eV F2_4d4d=12.49404eV F4_4d4d=8.35472eV Z=48 2s01 4d07 Cd6+ SOC_2s=0.000eV SOC_4d=0.383eV F0_2s4d=33.60835eV G2_2s4d=2.60772eV F0_4d4d=23.57005eV F2_4d4d=12.13817eV F4_4d4d=8.09019eV Z=48 2s01 4d08 Cd5+ SOC_2s=0.000eV SOC_4d=0.360eV F0_2s4d=32.76166eV G2_2s4d=2.45732eV F0_4d4d=22.94491eV F2_4d4d=11.75996eV F4_4d4d=7.80939eV Z=48 2s01 4d09 Cd4+ SOC_2s=0.000eV SOC_4d=0.338eV F0_2s4d=31.89120eV G2_2s4d=2.31008eV F0_4d4d=22.28827eV F2_4d4d=11.35458eV F4_4d4d=7.50907eV Z=48 3s02 4d00 Cd12+ SOC_3s=0.000eV Z=48 3s02 4d01 Cd11+ SOC_3s=0.000eV SOC_4d=0.455eV F0_3s4d=32.92398eV G2_3s4d=1.65886eV Z=48 3s02 4d02 Cd10+ SOC_3s=0.000eV SOC_4d=0.431eV F0_3s4d=32.30595eV G2_3s4d=1.58182eV F0_4d4d=25.03005eV F2_4d4d=13.04258eV F4_4d4d=8.79562eV Z=48 3s02 4d03 Cd9+ SOC_3s=0.000eV SOC_4d=0.408eV F0_3s4d=31.67541eV G2_3s4d=1.50510eV F0_4d4d=24.47298eV F2_4d4d=12.73223eV F4_4d4d=8.56541eV Z=48 3s02 4d04 Cd8+ SOC_3s=0.000eV SOC_4d=0.385eV F0_3s4d=31.03070eV G2_3s4d=1.42878eV F0_4d4d=23.90171eV F2_4d4d=12.40794eV F4_4d4d=8.32462eV Z=48 3s02 4d05 Cd7+ SOC_3s=0.000eV SOC_4d=0.363eV F0_3s4d=30.36964eV G2_3s4d=1.35297eV F0_4d4d=23.31331eV F2_4d4d=12.06731eV F4_4d4d=8.07157eV Z=48 3s02 4d06 Cd6+ SOC_3s=0.000eV SOC_4d=0.341eV F0_3s4d=29.68940eV G2_3s4d=1.27780eV F0_4d4d=22.70397eV F2_4d4d=11.70733eV F4_4d4d=7.80422eV Z=48 3s02 4d07 Cd5+ SOC_3s=0.000eV SOC_4d=0.320eV F0_3s4d=28.98922eV G2_3s4d=1.20424eV F0_4d4d=22.06922eV F2_4d4d=11.32282eV F4_4d4d=7.51894eV Z=48 3s02 4d08 Cd4+ SOC_3s=0.000eV SOC_4d=0.299eV F0_3s4d=28.25894eV G2_3s4d=1.13107eV F0_4d4d=21.40050eV F2_4d4d=10.91008eV F4_4d4d=7.21344eV Z=48 3s02 4d09 Cd3+ SOC_3s=0.000eV SOC_4d=0.279eV F0_3s4d=27.48697eV G2_3s4d=1.05715eV F0_4d4d=20.68708eV F2_4d4d=10.46350eV F4_4d4d=6.88416eV Z=48 3s01 4d00 Cd13+ SOC_3s=0.000eV Z=48 3s01 4d01 Cd12+ SOC_3s=0.000eV SOC_4d=0.508eV F0_3s4d=34.24818eV G2_3s4d=1.79800eV Z=48 3s01 4d02 Cd11+ SOC_3s=0.000eV SOC_4d=0.483eV F0_3s4d=33.65759eV G2_3s4d=1.72142eV F0_4d4d=26.17978eV F2_4d4d=13.62599eV F4_4d4d=9.20809eV Z=48 3s01 4d03 Cd10+ SOC_3s=0.000eV SOC_4d=0.459eV F0_3s4d=33.05705eV G2_3s4d=1.64519eV F0_4d4d=25.64569eV F2_4d4d=13.33357eV F4_4d4d=8.99134eV Z=48 3s01 4d04 Cd9+ SOC_3s=0.000eV SOC_4d=0.436eV F0_3s4d=32.44505eV G2_3s4d=1.56935eV F0_4d4d=25.10047eV F2_4d4d=13.02980eV F4_4d4d=8.76581eV Z=48 3s01 4d05 Cd8+ SOC_3s=0.000eV SOC_4d=0.413eV F0_3s4d=31.82547eV G2_3s4d=1.49541eV F0_4d4d=24.54366eV F2_4d4d=12.71082eV F4_4d4d=8.52861eV Z=48 3s01 4d06 Cd7+ SOC_3s=0.000eV SOC_4d=0.390eV F0_3s4d=31.18330eV G2_3s4d=1.41999eV F0_4d4d=23.96854eV F2_4d4d=12.37931eV F4_4d4d=8.28213eV Z=48 3s01 4d07 Cd6+ SOC_3s=0.000eV SOC_4d=0.368eV F0_3s4d=30.52267eV G2_3s4d=1.34491eV F0_4d4d=23.37381eV F2_4d4d=12.02996eV F4_4d4d=8.02242eV Z=48 3s01 4d08 Cd5+ SOC_3s=0.000eV SOC_4d=0.347eV F0_3s4d=29.84361eV G2_3s4d=1.27135eV F0_4d4d=22.75531eV F2_4d4d=11.65733eV F4_4d4d=7.74561eV Z=48 3s01 4d09 Cd4+ SOC_3s=0.000eV SOC_4d=0.326eV F0_3s4d=29.13839eV G2_3s4d=1.19855eV F0_4d4d=22.10586eV F2_4d4d=11.25791eV F4_4d4d=7.44952eV Z=48 2p06 4d00 Cd12+ SOC_2p=127.048eV Z=48 2p06 4d01 Cd11+ SOC_2p=127.033eV SOC_4d=0.455eV F0_2p4d=36.64455eV G1_2p4d=3.49278eV F2_2p4d=4.06198eV G3_2p4d=2.04102eV Z=48 2p06 4d02 Cd10+ SOC_2p=127.020eV SOC_4d=0.431eV F0_2p4d=35.84232eV G1_2p4d=3.31402eV F2_2p4d=3.86747eV G3_2p4d=1.93598eV F0_4d4d=25.03005eV F2_4d4d=13.04258eV F4_4d4d=8.79562eV Z=48 2p06 4d03 Cd9+ SOC_2p=127.009eV SOC_4d=0.408eV F0_2p4d=35.02966eV G1_2p4d=3.13831eV F2_2p4d=3.67540eV G3_2p4d=1.83283eV F0_4d4d=24.47298eV F2_4d4d=12.73223eV F4_4d4d=8.56541eV Z=48 2p06 4d04 Cd8+ SOC_2p=127.000eV SOC_4d=0.385eV F0_2p4d=34.20517eV G1_2p4d=2.96581eV F2_2p4d=3.48594eV G3_2p4d=1.73164eV F0_4d4d=23.90171eV F2_4d4d=12.40794eV F4_4d4d=8.32462eV Z=48 2p06 4d05 Cd7+ SOC_2p=126.993eV SOC_4d=0.363eV F0_2p4d=33.36692eV G1_2p4d=2.79667eV F2_2p4d=3.29921eV G3_2p4d=1.63251eV F0_4d4d=23.31331eV F2_4d4d=12.06731eV F4_4d4d=8.07157eV Z=48 2p06 4d06 Cd6+ SOC_2p=126.988eV SOC_4d=0.341eV F0_2p4d=32.51233eV G1_2p4d=2.63101eV F2_2p4d=3.11533eV G3_2p4d=1.53549eV F0_4d4d=22.70397eV F2_4d4d=11.70733eV F4_4d4d=7.80422eV Z=48 2p06 4d07 Cd5+ SOC_2p=126.984eV SOC_4d=0.320eV F0_2p4d=31.64428eV G1_2p4d=2.47217eV F2_2p4d=2.93747eV G3_2p4d=1.44252eV F0_4d4d=22.06922eV F2_4d4d=11.32282eV F4_4d4d=7.51894eV Z=48 2p06 4d08 Cd4+ SOC_2p=126.982eV SOC_4d=0.299eV F0_2p4d=30.74785eV G1_2p4d=2.31559eV F2_2p4d=2.76120eV G3_2p4d=1.35094eV F0_4d4d=21.40050eV F2_4d4d=10.91008eV F4_4d4d=7.21344eV Z=48 2p06 4d09 Cd3+ SOC_2p=126.981eV SOC_4d=0.279eV F0_2p4d=29.80709eV G1_2p4d=2.15711eV F2_2p4d=2.58244eV G3_2p4d=1.25831eV F0_4d4d=20.68708eV F2_4d4d=10.46350eV F4_4d4d=6.88416eV Z=48 2p05 4d00 Cd13+ SOC_2p=129.692eV Z=48 2p05 4d01 Cd12+ SOC_2p=129.673eV SOC_4d=0.531eV F0_2p4d=38.58546eV G1_2p4d=3.87759eV F2_2p4d=4.47450eV G3_2p4d=2.27130eV Z=48 2p05 4d02 Cd11+ SOC_2p=129.657eV SOC_4d=0.506eV F0_2p4d=37.80767eV G1_2p4d=3.69587eV F2_2p4d=4.27838eV G3_2p4d=2.16418eV F0_4d4d=26.40881eV F2_4d4d=13.75910eV F4_4d4d=9.29385eV Z=48 2p05 4d03 Cd10+ SOC_2p=129.643eV SOC_4d=0.481eV F0_2p4d=37.03393eV G1_2p4d=3.52322eV F2_2p4d=4.09047eV G3_2p4d=2.06248eV F0_4d4d=25.87229eV F2_4d4d=13.46028eV F4_4d4d=9.07212eV Z=48 2p05 4d04 Cd9+ SOC_2p=129.631eV SOC_4d=0.455eV F0_2p4d=36.22053eV G1_2p4d=3.33870eV F2_2p4d=3.89084eV G3_2p4d=1.95394eV F0_4d4d=25.31889eV F2_4d4d=13.15439eV F4_4d4d=8.84520eV Z=48 2p05 4d05 Cd8+ SOC_2p=129.622eV SOC_4d=0.431eV F0_2p4d=35.41220eV G1_2p4d=3.16523eV F2_2p4d=3.70130eV G3_2p4d=1.85197eV F0_4d4d=24.75485eV F2_4d4d=12.83267eV F4_4d4d=8.60609eV Z=48 2p05 4d06 Cd7+ SOC_2p=129.614eV SOC_4d=0.408eV F0_2p4d=34.59096eV G1_2p4d=2.99500eV F2_2p4d=3.51439eV G3_2p4d=1.75197eV F0_4d4d=24.17433eV F2_4d4d=12.49517eV F4_4d4d=8.35515eV Z=48 2p05 4d07 Cd6+ SOC_2p=129.609eV SOC_4d=0.385eV F0_2p4d=33.75423eV G1_2p4d=2.82812eV F2_2p4d=3.33020eV G3_2p4d=1.65402eV F0_4d4d=23.57364eV F2_4d4d=12.13900eV F4_4d4d=8.09042eV Z=48 2p05 4d08 Cd5+ SOC_2p=129.605eV SOC_4d=0.362eV F0_2p4d=32.89857eV G1_2p4d=2.66465eV F2_2p4d=3.14877eV G3_2p4d=1.55814eV F0_4d4d=22.94795eV F2_4d4d=11.76049eV F4_4d4d=7.80940eV Z=48 2p05 4d09 Cd4+ SOC_2p=129.603eV SOC_4d=0.340eV F0_2p4d=32.01933eV G1_2p4d=2.50468eV F2_2p4d=2.97013eV G3_2p4d=1.46436eV F0_4d4d=22.29071eV F2_4d4d=11.35477eV F4_4d4d=7.50886eV Z=48 3p06 4d00 Cd12+ SOC_3p=23.181eV Z=48 3p06 4d01 Cd11+ SOC_3p=23.126eV SOC_4d=0.455eV F0_3p4d=32.96109eV G1_3p4d=1.77430eV F2_3p4d=7.98720eV G3_3p4d=1.84786eV Z=48 3p06 4d02 Cd10+ SOC_3p=23.078eV SOC_4d=0.431eV F0_3p4d=32.34026eV G1_3p4d=1.69533eV F2_3p4d=7.68785eV G3_3p4d=1.76165eV F0_4d4d=25.03005eV F2_4d4d=13.04258eV F4_4d4d=8.79562eV Z=48 3p06 4d03 Cd9+ SOC_3p=23.035eV SOC_4d=0.408eV F0_3p4d=31.70715eV G1_3p4d=1.61617eV F2_3p4d=7.38723eV G3_3p4d=1.67574eV F0_4d4d=24.47298eV F2_4d4d=12.73223eV F4_4d4d=8.56541eV Z=48 3p06 4d04 Cd8+ SOC_3p=22.999eV SOC_4d=0.385eV F0_3p4d=31.06007eV G1_3p4d=1.53696eV F2_3p4d=7.08536eV G3_3p4d=1.59028eV F0_4d4d=23.90171eV F2_4d4d=12.40794eV F4_4d4d=8.32462eV Z=48 3p06 4d05 Cd7+ SOC_3p=22.968eV SOC_4d=0.363eV F0_3p4d=30.39683eV G1_3p4d=1.45782eV F2_3p4d=6.78217eV G3_3p4d=1.50540eV F0_4d4d=23.31331eV F2_4d4d=12.06731eV F4_4d4d=8.07157eV Z=48 3p06 4d06 Cd6+ SOC_3p=22.943eV SOC_4d=0.341eV F0_3p4d=29.71461eV G1_3p4d=1.37888eV F2_3p4d=6.47752eV G3_3p4d=1.42123eV F0_4d4d=22.70397eV F2_4d4d=11.70733eV F4_4d4d=7.80422eV Z=48 3p06 4d07 Cd5+ SOC_3p=22.922eV SOC_4d=0.320eV F0_3p4d=29.01264eV G1_3p4d=1.30127eV F2_3p4d=6.17294eV G3_3p4d=1.33892eV F0_4d4d=22.06922eV F2_4d4d=11.32282eV F4_4d4d=7.51894eV Z=48 3p06 4d08 Cd4+ SOC_3p=22.906eV SOC_4d=0.299eV F0_3p4d=28.28067eV G1_3p4d=1.22371eV F2_3p4d=5.86527eV G3_3p4d=1.25712eV F0_4d4d=21.40050eV F2_4d4d=10.91008eV F4_4d4d=7.21344eV Z=48 3p06 4d09 Cd3+ SOC_3p=22.896eV SOC_4d=0.279eV F0_3p4d=27.50708eV G1_3p4d=1.14493eV F2_3p4d=5.55148eV G3_3p4d=1.17460eV F0_4d4d=20.68708eV F2_4d4d=10.46350eV F4_4d4d=6.88416eV Z=48 3p05 4d00 Cd13+ SOC_3p=23.643eV Z=48 3p05 4d01 Cd12+ SOC_3p=23.581eV SOC_4d=0.508eV F0_3p4d=34.29222eV G1_3p4d=1.91183eV F2_3p4d=8.60176eV G3_3p4d=2.00659eV Z=48 3p05 4d02 Cd11+ SOC_3p=23.525eV SOC_4d=0.483eV F0_3p4d=33.69821eV G1_3p4d=1.83430eV F2_3p4d=8.30849eV G3_3p4d=1.92132eV F0_4d4d=26.17755eV F2_4d4d=13.62547eV F4_4d4d=9.20774eV Z=48 3p05 4d03 Cd10+ SOC_3p=23.476eV SOC_4d=0.459eV F0_3p4d=33.09451eV G1_3p4d=1.75660eV F2_3p4d=8.01414eV G3_3p4d=1.83629eV F0_4d4d=25.64334eV F2_4d4d=13.33296eV F4_4d4d=8.99092eV Z=48 3p05 4d04 Cd9+ SOC_3p=23.433eV SOC_4d=0.436eV F0_3p4d=32.47936eV G1_3p4d=1.67876eV F2_3p4d=7.71848eV G3_3p4d=1.75155eV F0_4d4d=25.09783eV F2_4d4d=13.02900eV F4_4d4d=8.76527eV Z=48 3p05 4d05 Cd8+ SOC_3p=23.395eV SOC_4d=0.413eV F0_3p4d=31.85718eV G1_3p4d=1.60247eV F2_3p4d=7.42473eV G3_3p4d=1.66886eV F0_4d4d=24.54104eV F2_4d4d=12.71010eV F4_4d4d=8.52812eV Z=48 3p05 4d06 Cd7+ SOC_3p=23.364eV SOC_4d=0.390eV F0_3p4d=31.21321eV G1_3p4d=1.52430eV F2_3p4d=7.12586eV G3_3p4d=1.58465eV F0_4d4d=23.96624eV F2_4d4d=12.37848eV F4_4d4d=8.28155eV Z=48 3p05 4d07 Cd6+ SOC_3p=23.338eV SOC_4d=0.368eV F0_3p4d=30.54982eV G1_3p4d=1.44581eV F2_3p4d=6.82446eV G3_3p4d=1.50057eV F0_4d4d=23.37123eV F2_4d4d=12.02907eV F4_4d4d=8.02180eV Z=48 3p05 4d08 Cd5+ SOC_3p=23.318eV SOC_4d=0.346eV F0_3p4d=29.86863eV G1_3p4d=1.36861eV F2_3p4d=6.52312eV G3_3p4d=1.41827eV F0_4d4d=22.75268eV F2_4d4d=11.65638eV F4_4d4d=7.74496eV Z=48 3p05 4d09 Cd4+ SOC_3p=23.302eV SOC_4d=0.325eV F0_3p4d=29.16150eV G1_3p4d=1.29182eV F2_3p4d=6.21955eV G3_3p4d=1.33683eV F0_4d4d=22.10325eV F2_4d4d=11.25693eV F4_4d4d=7.44885eV Z=49 1s02 5p00 In1+ SOC_1s=0.000eV Z=49 1s02 5p01 In0+ SOC_1s=0.000eV SOC_5p=0.162eV Z=49 1s01 5p00 In2+ SOC_1s=0.000eV Z=49 1s01 5p01 In1+ SOC_1s=0.000eV SOC_5p=0.316eV Z=49 1s01 5p02 In0+ SOC_1s=0.000eV SOC_5p=0.250eV F0_5p5p=7.56029eV F2_5p5p=3.96280eV Z=49 2s02 5p00 In1+ SOC_2s=0.000eV Z=49 2s02 5p01 In0+ SOC_2s=0.000eV SOC_5p=0.162eV Z=49 2s01 5p00 In2+ SOC_2s=0.000eV Z=49 2s01 5p01 In1+ SOC_2s=0.000eV SOC_5p=0.301eV Z=49 2s01 5p02 In0+ SOC_2s=0.000eV SOC_5p=0.237eV F0_5p5p=7.51871eV F2_5p5p=3.94412eV Z=49 3s02 5p00 In1+ SOC_3s=0.000eV Z=49 3s02 5p01 In0+ SOC_3s=0.000eV SOC_5p=0.162eV F0_3s5p=8.88180eV G1_3s5p=0.08114eV Z=49 3s01 5p00 In2+ SOC_3s=0.000eV Z=49 3s01 5p01 In1+ SOC_3s=0.000eV SOC_5p=0.302eV F0_3s5p=11.04909eV G1_3s5p=0.14570eV Z=49 3s01 5p02 In0+ SOC_3s=0.000eV SOC_5p=0.238eV F0_3s5p=10.12465eV G1_3s5p=0.11518eV F0_5p5p=7.49989eV F2_5p5p=3.93549eV Z=49 2p06 5p00 In1+ SOC_2p=139.356eV Z=49 2p06 5p01 In0+ SOC_2p=139.355eV SOC_5p=0.162eV F0_2p5p=9.01670eV G0_2p5p=0.04525eV F2_2p5p=0.14582eV G2_2p5p=0.05274eV Z=49 2p05 5p00 In2+ SOC_2p=142.174eV Z=49 2p05 5p01 In1+ SOC_2p=142.173eV SOC_5p=0.302eV F0_2p5p=11.32594eV G0_2p5p=0.08240eV F2_2p5p=0.26072eV G2_2p5p=0.09624eV Z=49 2p05 5p02 In0+ SOC_2p=142.173eV SOC_5p=0.238eV F0_2p5p=10.34423eV G0_2p5p=0.06499eV F2_2p5p=0.20732eV G2_2p5p=0.07590eV F0_5p5p=7.51930eV F2_5p5p=3.94384eV Z=49 3p06 5p00 In1+ SOC_3p=25.410eV Z=49 3p06 5p01 In0+ SOC_3p=25.410eV SOC_5p=0.162eV F0_3p5p=8.88345eV G0_3p5p=0.07388eV F2_3p5p=0.41766eV G2_3p5p=0.09224eV Z=49 3p05 5p00 In2+ SOC_3p=25.844eV Z=49 3p05 5p01 In1+ SOC_3p=25.845eV SOC_5p=0.302eV F0_3p5p=11.04568eV G0_3p5p=0.13370eV F2_3p5p=0.71060eV G2_3p5p=0.16667eV Z=49 3p05 5p02 In0+ SOC_3p=25.845eV SOC_5p=0.238eV F0_3p5p=10.11913eV G0_3p5p=0.10566eV F2_3p5p=0.57595eV G2_3p5p=0.13165eV F0_5p5p=7.49295eV F2_5p5p=3.93130eV Z=50 1s02 5p00 Sn2+ SOC_1s=0.000eV Z=50 1s02 5p01 Sn1+ SOC_1s=0.000eV SOC_5p=0.320eV Z=50 1s02 5p02 Sn0+ SOC_1s=0.000eV SOC_5p=0.252eV F0_5p5p=7.56034eV F2_5p5p=3.96026eV Z=50 1s01 5p00 Sn3+ SOC_1s=0.000eV Z=50 1s01 5p01 Sn2+ SOC_1s=0.000eV SOC_5p=0.494eV Z=50 1s01 5p02 Sn1+ SOC_1s=0.000eV SOC_5p=0.421eV F0_5p5p=9.09964eV F2_5p5p=4.90404eV Z=50 1s01 5p03 Sn0+ SOC_1s=0.000eV SOC_5p=0.350eV F0_5p5p=8.41627eV F2_5p5p=4.43947eV Z=50 2s02 5p00 Sn2+ SOC_2s=0.000eV Z=50 2s02 5p01 Sn1+ SOC_2s=0.000eV SOC_5p=0.320eV Z=50 2s02 5p02 Sn0+ SOC_2s=0.000eV SOC_5p=0.252eV F0_5p5p=7.56034eV F2_5p5p=3.96026eV Z=50 2s01 5p00 Sn3+ SOC_2s=0.000eV Z=50 2s01 5p01 Sn2+ SOC_2s=0.000eV SOC_5p=0.472eV Z=50 2s01 5p02 Sn1+ SOC_2s=0.000eV SOC_5p=0.402eV F0_5p5p=9.05389eV F2_5p5p=4.88211eV Z=50 2s01 5p03 Sn0+ SOC_2s=0.000eV SOC_5p=0.334eV F0_5p5p=8.37406eV F2_5p5p=4.42004eV Z=50 3s02 5p00 Sn2+ SOC_3s=0.000eV Z=50 3s02 5p01 Sn1+ SOC_3s=0.000eV SOC_5p=0.320eV F0_3s5p=11.15890eV G1_3s5p=0.14610eV Z=50 3s02 5p02 Sn0+ SOC_3s=0.000eV SOC_5p=0.252eV F0_3s5p=10.21799eV G1_3s5p=0.11532eV F0_5p5p=7.56034eV F2_5p5p=3.96026eV Z=50 3s01 5p00 Sn3+ SOC_3s=0.000eV Z=50 3s01 5p01 Sn2+ SOC_3s=0.000eV SOC_5p=0.473eV F0_3s5p=12.80362eV G1_3s5p=0.20878eV Z=50 3s01 5p02 Sn1+ SOC_3s=0.000eV SOC_5p=0.402eV F0_3s5p=12.08346eV G1_3s5p=0.17780eV F0_5p5p=9.02728eV F2_5p5p=4.86912eV Z=50 3s01 5p03 Sn0+ SOC_3s=0.000eV SOC_5p=0.334eV F0_3s5p=11.27399eV G1_3s5p=0.14800eV F0_5p5p=8.35083eV F2_5p5p=4.40912eV Z=50 2p06 5p00 Sn2+ SOC_2p=152.665eV Z=50 2p06 5p01 Sn1+ SOC_2p=152.664eV SOC_5p=0.320eV F0_2p5p=11.40515eV G0_2p5p=0.08271eV F2_2p5p=0.26163eV G2_2p5p=0.09668eV Z=50 2p06 5p02 Sn0+ SOC_2p=152.664eV SOC_5p=0.252eV F0_2p5p=10.41208eV G0_2p5p=0.06520eV F2_2p5p=0.20792eV G2_2p5p=0.07620eV F0_5p5p=7.56034eV F2_5p5p=3.96026eV Z=50 2p05 5p00 Sn3+ SOC_2p=155.693eV Z=50 2p05 5p01 Sn2+ SOC_2p=155.691eV SOC_5p=0.474eV F0_2p5p=13.19862eV G0_2p5p=0.11980eV F2_2p5p=0.37519eV G2_2p5p=0.14034eV Z=50 2p05 5p02 Sn1+ SOC_2p=155.690eV SOC_5p=0.403eV F0_2p5p=12.42456eV G0_2p5p=0.10204eV F2_2p5p=0.32137eV G2_2p5p=0.11951eV F0_5p5p=9.05591eV F2_5p5p=4.88285eV Z=50 2p05 5p03 Sn0+ SOC_2p=155.690eV SOC_5p=0.335eV F0_2p5p=11.55979eV G0_2p5p=0.08483eV F2_2p5p=0.26882eV G2_2p5p=0.09934eV F0_5p5p=8.37541eV F2_5p5p=4.42011eV Z=50 3p06 5p00 Sn2+ SOC_3p=28.145eV Z=50 3p06 5p01 Sn1+ SOC_3p=28.145eV SOC_5p=0.320eV F0_3p5p=11.16212eV G0_3p5p=0.13297eV F2_3p5p=0.71096eV G2_3p5p=0.16668eV Z=50 3p06 5p02 Sn0+ SOC_3p=28.146eV SOC_5p=0.252eV F0_3p5p=10.22053eV G0_3p5p=0.10500eV F2_3p5p=0.57556eV G2_3p5p=0.13152eV F0_5p5p=7.56034eV F2_5p5p=3.96026eV Z=50 3p05 5p00 Sn3+ SOC_3p=28.614eV Z=50 3p05 5p01 Sn2+ SOC_3p=28.614eV SOC_5p=0.473eV F0_3p5p=12.80313eV G0_3p5p=0.19148eV F2_3p5p=0.98677eV G2_3p5p=0.23968eV Z=50 3p05 5p02 Sn1+ SOC_3p=28.615eV SOC_5p=0.402eV F0_3p5p=12.08205eV G0_3p5p=0.16313eV F2_3p5p=0.85614eV G2_3p5p=0.20407eV F0_5p5p=9.02207eV F2_5p5p=4.86599eV Z=50 3p05 5p03 Sn0+ SOC_3p=28.615eV SOC_5p=0.334eV F0_3p5p=11.27095eV G0_3p5p=0.13578eV F2_3p5p=0.72660eV G2_3p5p=0.16977eV F0_5p5p=8.34495eV F2_5p5p=4.40557eV Z=51 1s02 5p00 Sb3+ SOC_1s=0.000eV Z=51 1s02 5p01 Sb2+ SOC_1s=0.000eV SOC_5p=0.500eV Z=51 1s02 5p02 Sb1+ SOC_1s=0.000eV SOC_5p=0.426eV F0_5p5p=9.10599eV F2_5p5p=4.90514eV Z=51 1s02 5p03 Sb0+ SOC_1s=0.000eV SOC_5p=0.354eV F0_5p5p=8.41918eV F2_5p5p=4.43820eV Z=51 1s01 5p00 Sb4+ SOC_1s=0.000eV Z=51 1s01 5p01 Sb3+ SOC_1s=0.000eV SOC_5p=0.700eV Z=51 1s01 5p02 Sb2+ SOC_1s=0.000eV SOC_5p=0.618eV F0_5p5p=10.35087eV F2_5p5p=5.64709eV Z=51 1s01 5p03 Sb1+ SOC_1s=0.000eV SOC_5p=0.539eV F0_5p5p=9.81538eV F2_5p5p=5.29286eV Z=51 1s01 5p04 Sb0+ SOC_1s=0.000eV SOC_5p=0.463eV F0_5p5p=9.19738eV F2_5p5p=4.87135eV Z=51 2s02 5p00 Sb3+ SOC_2s=0.000eV Z=51 2s02 5p01 Sb2+ SOC_2s=0.000eV SOC_5p=0.500eV Z=51 2s02 5p02 Sb1+ SOC_2s=0.000eV SOC_5p=0.426eV F0_5p5p=9.10599eV F2_5p5p=4.90514eV Z=51 2s02 5p03 Sb0+ SOC_2s=0.000eV SOC_5p=0.354eV F0_5p5p=8.41918eV F2_5p5p=4.43820eV Z=51 2s01 5p00 Sb4+ SOC_2s=0.000eV Z=51 2s01 5p01 Sb3+ SOC_2s=0.000eV SOC_5p=0.669eV Z=51 2s01 5p02 Sb2+ SOC_2s=0.000eV SOC_5p=0.591eV F0_5p5p=10.30185eV F2_5p5p=5.62353eV Z=51 2s01 5p03 Sb1+ SOC_2s=0.000eV SOC_5p=0.517eV F0_5p5p=9.76935eV F2_5p5p=5.27040eV Z=51 2s01 5p04 Sb0+ SOC_2s=0.000eV SOC_5p=0.443eV F0_5p5p=9.15422eV F2_5p5p=4.85141eV Z=51 3s02 5p00 Sb3+ SOC_3s=0.000eV Z=51 3s02 5p01 Sb2+ SOC_3s=0.000eV SOC_5p=0.500eV F0_3s5p=12.92734eV G1_3s5p=0.20897eV Z=51 3s02 5p02 Sb1+ SOC_3s=0.000eV SOC_5p=0.426eV F0_3s5p=12.19959eV G1_3s5p=0.17821eV F0_5p5p=9.10599eV F2_5p5p=4.90514eV Z=51 3s02 5p03 Sb0+ SOC_3s=0.000eV SOC_5p=0.354eV F0_3s5p=11.37872eV G1_3s5p=0.14842eV F0_5p5p=8.41918eV F2_5p5p=4.43820eV Z=51 3s01 5p00 Sb4+ SOC_3s=0.000eV Z=51 3s01 5p01 Sb3+ SOC_3s=0.000eV SOC_5p=0.669eV F0_3s5p=14.33972eV G1_3s5p=0.27067eV Z=51 3s01 5p02 Sb2+ SOC_3s=0.000eV SOC_5p=0.590eV F0_3s5p=13.72154eV G1_3s5p=0.23939eV F0_5p5p=10.26940eV F2_5p5p=5.60652eV Z=51 3s01 5p03 Sb1+ SOC_3s=0.000eV SOC_5p=0.515eV F0_3s5p=13.05787eV G1_3s5p=0.20923eV F0_5p5p=9.73913eV F2_5p5p=5.25584eV Z=51 3s01 5p04 Sb0+ SOC_3s=0.000eV SOC_5p=0.442eV F0_3s5p=12.32577eV G1_3s5p=0.18001eV F0_5p5p=9.12730eV F2_5p5p=4.83843eV Z=51 2p06 5p00 Sb3+ SOC_2p=166.959eV Z=51 2p06 5p01 Sb2+ SOC_2p=166.957eV SOC_5p=0.500eV F0_2p5p=13.28410eV G0_2p5p=0.11997eV F2_2p5p=0.37570eV G2_2p5p=0.14063eV Z=51 2p06 5p02 Sb1+ SOC_2p=166.956eV SOC_5p=0.426eV F0_2p5p=12.50334eV G0_2p5p=0.10216eV F2_2p5p=0.32174eV G2_2p5p=0.11974eV F0_5p5p=9.10599eV F2_5p5p=4.90514eV Z=51 2p06 5p03 Sb0+ SOC_2p=166.955eV SOC_5p=0.354eV F0_2p5p=11.63136eV G0_2p5p=0.08498eV F2_2p5p=0.26924eV G2_2p5p=0.09959eV F0_5p5p=8.41918eV F2_5p5p=4.43820eV Z=51 2p05 5p00 Sb4+ SOC_2p=170.207eV Z=51 2p05 5p01 Sb3+ SOC_2p=170.205eV SOC_5p=0.672eV F0_2p5p=14.85428eV G0_2p5p=0.15771eV F2_2p5p=0.49063eV G2_2p5p=0.18527eV Z=51 2p05 5p02 Sb2+ SOC_2p=170.203eV SOC_5p=0.593eV F0_2p5p=14.18085eV G0_2p5p=0.13940eV F2_2p5p=0.43559eV G2_2p5p=0.16373eV F0_5p5p=10.30469eV F2_5p5p=5.62465eV Z=51 2p05 5p03 Sb1+ SOC_2p=170.202eV SOC_5p=0.518eV F0_2p5p=13.46370eV G0_2p5p=0.12180eV F2_2p5p=0.38239eV G2_2p5p=0.14304eV F0_5p5p=9.77165eV F2_5p5p=5.27136eV Z=51 2p05 5p04 Sb0+ SOC_2p=170.201eV SOC_5p=0.445eV F0_2p5p=12.67534eV G0_2p5p=0.10455eV F2_2p5p=0.32991eV G2_2p5p=0.12277eV F0_5p5p=9.15606eV F2_5p5p=4.85174eV Z=51 3p06 5p00 Sb3+ SOC_3p=31.106eV Z=51 3p06 5p01 Sb2+ SOC_3p=31.106eV SOC_5p=0.500eV F0_3p5p=12.93226eV G0_3p5p=0.19012eV F2_3p5p=0.98590eV G2_3p5p=0.23919eV Z=51 3p06 5p02 Sb1+ SOC_3p=31.107eV SOC_5p=0.426eV F0_3p5p=12.20379eV G0_3p5p=0.16220eV F2_3p5p=0.85586eV G2_3p5p=0.20391eV F0_5p5p=9.10599eV F2_5p5p=4.90514eV Z=51 3p06 5p03 Sb0+ SOC_3p=31.107eV SOC_5p=0.354eV F0_3p5p=11.38222eV G0_3p5p=0.13512eV F2_3p5p=0.72644eV G2_3p5p=0.16976eV F0_5p5p=8.41918eV F2_5p5p=4.43820eV Z=51 3p05 5p00 Sb4+ SOC_3p=31.614eV Z=51 3p05 5p01 Sb3+ SOC_3p=31.614eV SOC_5p=0.670eV F0_3p5p=14.34326eV G0_3p5p=0.24822eV F2_3p5p=1.25497eV G2_3p5p=0.31202eV Z=51 3p05 5p02 Sb2+ SOC_3p=31.614eV SOC_5p=0.591eV F0_3p5p=13.72352eV G0_3p5p=0.21961eV F2_3p5p=1.12589eV G2_3p5p=0.27581eV F0_5p5p=10.26498eV F2_5p5p=5.60379eV Z=51 3p05 5p03 Sb1+ SOC_3p=31.614eV SOC_5p=0.516eV F0_3p5p=13.05848eV G0_3p5p=0.19200eV F2_3p5p=0.99890eV G2_3p5p=0.24094eV F0_5p5p=9.73436eV F2_5p5p=5.25291eV Z=51 3p05 5p04 Sb0+ SOC_3p=31.615eV SOC_5p=0.443eV F0_3p5p=12.32494eV G0_3p5p=0.16521eV F2_3p5p=0.87297eV G2_3p5p=0.20719eV F0_5p5p=9.12207eV F2_5p5p=4.83522eV Z=52 1s02 5p00 Te4+ SOC_1s=0.000eV Z=52 1s02 5p01 Te3+ SOC_1s=0.000eV SOC_5p=0.708eV Z=52 1s02 5p02 Te2+ SOC_1s=0.000eV SOC_5p=0.625eV F0_5p5p=10.35967eV F2_5p5p=5.64992eV Z=52 1s02 5p03 Te1+ SOC_1s=0.000eV SOC_5p=0.546eV F0_5p5p=9.82260eV F2_5p5p=5.29424eV Z=52 1s02 5p04 Te0+ SOC_1s=0.000eV SOC_5p=0.469eV F0_5p5p=9.20183eV F2_5p5p=4.87112eV Z=52 1s01 5p00 Te5+ SOC_1s=0.000eV Z=52 1s01 5p01 Te4+ SOC_1s=0.000eV SOC_5p=0.934eV Z=52 1s01 5p02 Te3+ SOC_1s=0.000eV SOC_5p=0.844eV F0_5p5p=11.45872eV F2_5p5p=6.28925eV Z=52 1s01 5p03 Te2+ SOC_1s=0.000eV SOC_5p=0.757eV F0_5p5p=11.00266eV F2_5p5p=5.99644eV Z=52 1s01 5p04 Te1+ SOC_1s=0.000eV SOC_5p=0.673eV F0_5p5p=10.50034eV F2_5p5p=5.66342eV Z=52 1s01 5p05 Te0+ SOC_1s=0.000eV SOC_5p=0.592eV F0_5p5p=9.93011eV F2_5p5p=5.27354eV Z=52 2s02 5p00 Te4+ SOC_2s=0.000eV Z=52 2s02 5p01 Te3+ SOC_2s=0.000eV SOC_5p=0.708eV Z=52 2s02 5p02 Te2+ SOC_2s=0.000eV SOC_5p=0.625eV F0_5p5p=10.35967eV F2_5p5p=5.64992eV Z=52 2s02 5p03 Te1+ SOC_2s=0.000eV SOC_5p=0.546eV F0_5p5p=9.82260eV F2_5p5p=5.29424eV Z=52 2s02 5p04 Te0+ SOC_2s=0.000eV SOC_5p=0.469eV F0_5p5p=9.20183eV F2_5p5p=4.87112eV Z=52 2s01 5p00 Te5+ SOC_2s=0.000eV Z=52 2s01 5p01 Te4+ SOC_2s=0.000eV SOC_5p=0.895eV Z=52 2s01 5p02 Te3+ SOC_2s=0.000eV SOC_5p=0.810eV F0_5p5p=11.40751eV F2_5p5p=6.26402eV Z=52 2s01 5p03 Te2+ SOC_2s=0.000eV SOC_5p=0.727eV F0_5p5p=10.95361eV F2_5p5p=5.97223eV Z=52 2s01 5p04 Te1+ SOC_2s=0.000eV SOC_5p=0.645eV F0_5p5p=10.45321eV F2_5p5p=5.64135eV Z=52 2s01 5p05 Te0+ SOC_2s=0.000eV SOC_5p=0.567eV F0_5p5p=9.88575eV F2_5p5p=5.25356eV Z=52 3s02 5p00 Te4+ SOC_3s=0.000eV Z=52 3s02 5p01 Te3+ SOC_3s=0.000eV SOC_5p=0.708eV F0_3s5p=14.47589eV G1_3s5p=0.27112eV Z=52 3s02 5p02 Te2+ SOC_3s=0.000eV SOC_5p=0.625eV F0_3s5p=13.85248eV G1_3s5p=0.24008eV F0_5p5p=10.35967eV F2_5p5p=5.64992eV Z=52 3s02 5p03 Te1+ SOC_3s=0.000eV SOC_5p=0.546eV F0_3s5p=13.18180eV G1_3s5p=0.21002eV F0_5p5p=9.82260eV F2_5p5p=5.29424eV Z=52 3s02 5p04 Te0+ SOC_3s=0.000eV SOC_5p=0.469eV F0_3s5p=12.43879eV G1_3s5p=0.18058eV F0_5p5p=9.20183eV F2_5p5p=4.87112eV Z=52 3s01 5p00 Te5+ SOC_3s=0.000eV Z=52 3s01 5p01 Te4+ SOC_3s=0.000eV SOC_5p=0.894eV F0_3s5p=15.75063eV G1_3s5p=0.33220eV Z=52 3s01 5p02 Te3+ SOC_3s=0.000eV SOC_5p=0.807eV F0_3s5p=15.19412eV G1_3s5p=0.30054eV F0_5p5p=11.36982eV F2_5p5p=6.24398eV Z=52 3s01 5p03 Te2+ SOC_3s=0.000eV SOC_5p=0.724eV F0_3s5p=14.61161eV G1_3s5p=0.27010eV F0_5p5p=10.91799eV F2_5p5p=5.95409eV Z=52 3s01 5p04 Te1+ SOC_3s=0.000eV SOC_5p=0.643eV F0_3s5p=13.99004eV G1_3s5p=0.24040eV F0_5p5p=10.42032eV F2_5p5p=5.62457eV Z=52 3s01 5p05 Te0+ SOC_3s=0.000eV SOC_5p=0.565eV F0_3s5p=13.31399eV G1_3s5p=0.21155eV F0_5p5p=9.85552eV F2_5p5p=5.23873eV Z=52 2p06 5p00 Te4+ SOC_2p=182.291eV Z=52 2p06 5p01 Te3+ SOC_2p=182.288eV SOC_5p=0.708eV F0_2p5p=14.94436eV G0_2p5p=0.15771eV F2_2p5p=0.49067eV G2_2p5p=0.18540eV Z=52 2p06 5p02 Te2+ SOC_2p=182.286eV SOC_5p=0.625eV F0_2p5p=14.26659eV G0_2p5p=0.13943eV F2_2p5p=0.43570eV G2_2p5p=0.16387eV F0_5p5p=10.35967eV F2_5p5p=5.64992eV Z=52 2p06 5p03 Te1+ SOC_2p=182.285eV SOC_5p=0.546eV F0_2p5p=13.54352eV G0_2p5p=0.12181eV F2_2p5p=0.38239eV G2_2p5p=0.14314eV F0_5p5p=9.82260eV F2_5p5p=5.29424eV Z=52 2p06 5p04 Te0+ SOC_2p=182.285eV SOC_5p=0.469eV F0_2p5p=12.74941eV G0_2p5p=0.10461eV F2_2p5p=0.33005eV G2_2p5p=0.12292eV F0_5p5p=9.20183eV F2_5p5p=4.87112eV Z=52 2p05 5p00 Te5+ SOC_2p=185.775eV Z=52 2p05 5p01 Te4+ SOC_2p=185.771eV SOC_5p=0.898eV F0_2p5p=16.38295eV G0_2p5p=0.19604eV F2_2p5p=0.60711eV G2_2p5p=0.23095eV Z=52 2p05 5p02 Te3+ SOC_2p=185.768eV SOC_5p=0.812eV F0_2p5p=15.77253eV G0_2p5p=0.17735eV F2_2p5p=0.55121eV G2_2p5p=0.20888eV F0_5p5p=11.41070eV F2_5p5p=6.26559eV Z=52 2p05 5p03 Te2+ SOC_2p=185.766eV SOC_5p=0.729eV F0_2p5p=15.13637eV G0_2p5p=0.15934eV F2_2p5p=0.49708eV G2_2p5p=0.18763eV F0_5p5p=10.95675eV F2_5p5p=5.97329eV Z=52 2p05 5p04 Te1+ SOC_2p=185.765eV SOC_5p=0.647eV F0_2p5p=14.45586eV G0_2p5p=0.14139eV F2_2p5p=0.44296eV G2_2p5p=0.16647eV F0_5p5p=10.45583eV F2_5p5p=5.64234eV Z=52 2p05 5p05 Te0+ SOC_2p=185.764eV SOC_5p=0.568eV F0_2p5p=13.72576eV G0_2p5p=0.12426eV F2_2p5p=0.39096eV G2_2p5p=0.14629eV F0_5p5p=9.88787eV F2_5p5p=5.25425eV Z=52 3p06 5p00 Te4+ SOC_3p=34.308eV Z=52 3p06 5p01 Te3+ SOC_3p=34.308eV SOC_5p=0.708eV F0_3p5p=14.48264eV G0_3p5p=0.24656eV F2_3p5p=1.25323eV G2_3p5p=0.31128eV Z=52 3p06 5p02 Te2+ SOC_3p=34.308eV SOC_5p=0.625eV F0_3p5p=13.85847eV G0_3p5p=0.21842eV F2_3p5p=1.12523eV G2_3p5p=0.27552eV F0_5p5p=10.35967eV F2_5p5p=5.64992eV Z=52 3p06 5p03 Te1+ SOC_3p=34.309eV SOC_5p=0.546eV F0_3p5p=13.18705eV G0_3p5p=0.19114eV F2_3p5p=0.99885eV G2_3p5p=0.24094eV F0_5p5p=9.82260eV F2_5p5p=5.29424eV Z=52 3p06 5p04 Te0+ SOC_3p=34.309eV SOC_5p=0.469eV F0_3p5p=12.44330eV G0_3p5p=0.16440eV F2_3p5p=0.87248eV G2_3p5p=0.20710eV F0_5p5p=9.20183eV F2_5p5p=4.87112eV Z=52 3p05 5p00 Te5+ SOC_3p=34.857eV Z=52 3p05 5p01 Te4+ SOC_3p=34.856eV SOC_5p=0.896eV F0_3p5p=15.75605eV G0_3p5p=0.30439eV F2_3p5p=1.51785eV G2_3p5p=0.38396eV Z=52 3p05 5p02 Te3+ SOC_3p=34.856eV SOC_5p=0.809eV F0_3p5p=15.19896eV G0_3p5p=0.27558eV F2_3p5p=1.38981eV G2_3p5p=0.34728eV F0_5p5p=11.36581eV F2_5p5p=6.24141eV Z=52 3p05 5p03 Te2+ SOC_3p=34.856eV SOC_5p=0.725eV F0_3p5p=14.61523eV G0_3p5p=0.24776eV F2_3p5p=1.26428eV G2_3p5p=0.31196eV F0_5p5p=10.91381eV F2_5p5p=5.95146eV Z=52 3p05 5p04 Te1+ SOC_3p=34.856eV SOC_5p=0.644eV F0_3p5p=13.99241eV G0_3p5p=0.22057eV F2_3p5p=1.13980eV G2_3p5p=0.27753eV F0_5p5p=10.41591eV F2_5p5p=5.62183eV Z=52 3p05 5p05 Te0+ SOC_3p=34.856eV SOC_5p=0.566eV F0_3p5p=13.31504eV G0_3p5p=0.19415eV F2_3p5p=1.01647eV G2_3p5p=0.24414eV F0_5p5p=9.85078eV F2_5p5p=5.23579eV Z=53 1s02 5p00 I5+ SOC_1s=0.000eV Z=53 1s02 5p01 I4+ SOC_1s=0.000eV SOC_5p=0.944eV Z=53 1s02 5p02 I3+ SOC_1s=0.000eV SOC_5p=0.854eV F0_5p5p=11.46888eV F2_5p5p=6.29294eV Z=53 1s02 5p03 I2+ SOC_1s=0.000eV SOC_5p=0.767eV F0_5p5p=11.01211eV F2_5p5p=5.99882eV Z=53 1s02 5p04 I1+ SOC_1s=0.000eV SOC_5p=0.681eV F0_5p5p=10.50766eV F2_5p5p=5.66566eV Z=53 1s02 5p05 I0+ SOC_1s=0.000eV SOC_5p=0.598eV F0_5p5p=9.93521eV F2_5p5p=5.27471eV Z=53 1s01 5p00 I6+ SOC_1s=0.000eV Z=53 1s01 5p01 I5+ SOC_1s=0.000eV SOC_5p=1.200eV Z=53 1s01 5p02 I4+ SOC_1s=0.000eV SOC_5p=1.102eV F0_5p5p=12.48013eV F2_5p5p=6.87005eV Z=53 1s01 5p03 I3+ SOC_1s=0.000eV SOC_5p=1.008eV F0_5p5p=12.07476eV F2_5p5p=6.61607eV Z=53 1s01 5p04 I2+ SOC_1s=0.000eV SOC_5p=0.913eV F0_5p5p=11.63810eV F2_5p5p=6.33650eV Z=53 1s01 5p05 I1+ SOC_1s=0.000eV SOC_5p=0.823eV F0_5p5p=11.16183eV F2_5p5p=6.02087eV Z=53 1s01 5p06 I0+ SOC_1s=0.000eV SOC_5p=0.735eV F0_5p5p=10.62801eV F2_5p5p=5.65609eV Z=53 2s02 5p00 I5+ SOC_2s=0.000eV Z=53 2s02 5p01 I4+ SOC_2s=0.000eV SOC_5p=0.944eV Z=53 2s02 5p02 I3+ SOC_2s=0.000eV SOC_5p=0.854eV F0_5p5p=11.46888eV F2_5p5p=6.29294eV Z=53 2s02 5p03 I2+ SOC_2s=0.000eV SOC_5p=0.767eV F0_5p5p=11.01211eV F2_5p5p=5.99882eV Z=53 2s02 5p04 I1+ SOC_2s=0.000eV SOC_5p=0.681eV F0_5p5p=10.50766eV F2_5p5p=5.66566eV Z=53 2s02 5p05 I0+ SOC_2s=0.000eV SOC_5p=0.598eV F0_5p5p=9.93521eV F2_5p5p=5.27471eV Z=53 2s01 5p00 I6+ SOC_2s=0.000eV Z=53 2s01 5p01 I5+ SOC_2s=0.000eV SOC_5p=1.155eV Z=53 2s01 5p02 I4+ SOC_2s=0.000eV SOC_5p=1.059eV F0_5p5p=12.42659eV F2_5p5p=6.84339eV Z=53 2s01 5p03 I3+ SOC_2s=0.000eV SOC_5p=0.966eV F0_5p5p=12.02225eV F2_5p5p=6.59130eV Z=53 2s01 5p04 I2+ SOC_2s=0.000eV SOC_5p=0.876eV F0_5p5p=11.58801eV F2_5p5p=6.31227eV Z=53 2s01 5p05 I1+ SOC_2s=0.000eV SOC_5p=0.789eV F0_5p5p=11.11400eV F2_5p5p=5.99812eV Z=53 2s01 5p06 I0+ SOC_2s=0.000eV SOC_5p=0.705eV F0_5p5p=10.58285eV F2_5p5p=5.63503eV Z=53 3s02 5p00 I5+ SOC_3s=0.000eV Z=53 3s02 5p01 I4+ SOC_3s=0.000eV SOC_5p=0.944eV F0_3s5p=15.89537eV G1_3s5p=0.33258eV Z=53 3s02 5p02 I3+ SOC_3s=0.000eV SOC_5p=0.854eV F0_3s5p=15.33675eV G1_3s5p=0.30142eV F0_5p5p=11.46888eV F2_5p5p=6.29294eV Z=53 3s02 5p03 I2+ SOC_3s=0.000eV SOC_5p=0.767eV F0_3s5p=14.75024eV G1_3s5p=0.27129eV F0_5p5p=11.01211eV F2_5p5p=5.99882eV Z=53 3s02 5p04 I1+ SOC_3s=0.000eV SOC_5p=0.681eV F0_3s5p=14.11813eV G1_3s5p=0.24105eV F0_5p5p=10.50766eV F2_5p5p=5.66566eV Z=53 3s02 5p05 I0+ SOC_3s=0.000eV SOC_5p=0.598eV F0_3s5p=13.43312eV G1_3s5p=0.21208eV F0_5p5p=9.93521eV F2_5p5p=5.27471eV Z=53 3s01 5p00 I6+ SOC_3s=0.000eV Z=53 3s01 5p01 I5+ SOC_3s=0.000eV SOC_5p=1.148eV F0_3s5p=17.07071eV G1_3s5p=0.39217eV Z=53 3s01 5p02 I4+ SOC_3s=0.000eV SOC_5p=1.054eV F0_3s5p=16.56253eV G1_3s5p=0.36112eV F0_5p5p=12.38452eV F2_5p5p=6.82055eV Z=53 3s01 5p03 I3+ SOC_3s=0.000eV SOC_5p=0.963eV F0_3s5p=16.03321eV G1_3s5p=0.33053eV F0_5p5p=11.98228eV F2_5p5p=6.56987eV Z=53 3s01 5p04 I2+ SOC_3s=0.000eV SOC_5p=0.874eV F0_3s5p=15.47801eV G1_3s5p=0.30052eV F0_5p5p=11.55023eV F2_5p5p=6.29237eV Z=53 3s01 5p05 I1+ SOC_3s=0.000eV SOC_5p=0.787eV F0_3s5p=14.88989eV G1_3s5p=0.27119eV F0_5p5p=11.07845eV F2_5p5p=5.97982eV Z=53 3s01 5p06 I0+ SOC_3s=0.000eV SOC_5p=0.704eV F0_3s5p=14.25917eV G1_3s5p=0.24301eV F0_5p5p=10.55002eV F2_5p5p=5.61798eV Z=53 2p06 5p00 I5+ SOC_2p=198.721eV Z=53 2p06 5p01 I4+ SOC_2p=198.717eV SOC_5p=0.944eV F0_2p5p=16.47659eV G0_2p5p=0.19586eV F2_2p5p=0.60662eV G2_2p5p=0.23088eV Z=53 2p06 5p02 I3+ SOC_2p=198.713eV SOC_5p=0.854eV F0_2p5p=15.86253eV G0_2p5p=0.17721eV F2_2p5p=0.55082eV G2_2p5p=0.20885eV F0_5p5p=11.46888eV F2_5p5p=6.29294eV Z=53 2p06 5p03 I2+ SOC_2p=198.711eV SOC_5p=0.767eV F0_2p5p=15.22266eV G0_2p5p=0.15925eV F2_2p5p=0.49682eV G2_2p5p=0.18765eV F0_5p5p=11.01211eV F2_5p5p=5.99882eV Z=53 2p06 5p04 I1+ SOC_2p=198.710eV SOC_5p=0.681eV F0_2p5p=14.53730eV G0_2p5p=0.14132eV F2_2p5p=0.44273eV G2_2p5p=0.16649eV F0_5p5p=10.50766eV F2_5p5p=5.66566eV Z=53 2p06 5p05 I0+ SOC_2p=198.709eV SOC_5p=0.598eV F0_2p5p=13.80148eV G0_2p5p=0.12420eV F2_2p5p=0.39073eV G2_2p5p=0.14631eV F0_5p5p=9.93521eV F2_5p5p=5.27471eV Z=53 2p05 5p00 I6+ SOC_2p=202.451eV Z=53 2p05 5p01 I5+ SOC_2p=202.446eV SOC_5p=1.158eV F0_2p5p=17.83398eV G0_2p5p=0.23539eV F2_2p5p=0.72640eV G2_2p5p=0.27810eV Z=53 2p05 5p02 I4+ SOC_2p=202.442eV SOC_5p=1.063eV F0_2p5p=17.26293eV G0_2p5p=0.21610eV F2_2p5p=0.66894eV G2_2p5p=0.25525eV F0_5p5p=12.43042eV F2_5p5p=6.84498eV Z=53 2p05 5p03 I3+ SOC_2p=202.438eV SOC_5p=0.970eV F0_2p5p=16.67480eV G0_2p5p=0.19733eV F2_2p5p=0.61288eV G2_2p5p=0.23302eV F0_5p5p=12.02584eV F2_5p5p=6.59275eV Z=53 2p05 5p04 I2+ SOC_2p=202.436eV SOC_5p=0.880eV F0_2p5p=16.06220eV G0_2p5p=0.17902eV F2_2p5p=0.55801eV G2_2p5p=0.21137eV F0_5p5p=11.59131eV F2_5p5p=6.31356eV Z=53 2p05 5p05 I1+ SOC_2p=202.434eV SOC_5p=0.792eV F0_2p5p=15.41826eV G0_2p5p=0.16125eV F2_2p5p=0.50446eV G2_2p5p=0.19036eV F0_5p5p=11.11687eV F2_5p5p=5.99916eV Z=53 2p05 5p06 I0+ SOC_2p=202.434eV SOC_5p=0.707eV F0_2p5p=14.73115eV G0_2p5p=0.14406eV F2_2p5p=0.45238eV G2_2p5p=0.17005eV F0_5p5p=10.58530eV F2_5p5p=5.63585eV Z=53 3p06 5p00 I5+ SOC_3p=37.766eV Z=53 3p06 5p01 I4+ SOC_3p=37.765eV SOC_5p=0.944eV F0_3p5p=15.90406eV G0_3p5p=0.30230eV F2_3p5p=1.51529eV G2_3p5p=0.38291eV Z=53 3p06 5p02 I3+ SOC_3p=37.765eV SOC_5p=0.854eV F0_3p5p=15.34463eV G0_3p5p=0.27410eV F2_3p5p=1.38886eV G2_3p5p=0.34688eV F0_5p5p=11.46888eV F2_5p5p=6.29294eV Z=53 3p06 5p03 I2+ SOC_3p=37.765eV SOC_5p=0.767eV F0_3p5p=14.75734eV G0_3p5p=0.24680eV F2_3p5p=1.26459eV G2_3p5p=0.31207eV F0_5p5p=11.01211eV F2_5p5p=5.99882eV Z=53 3p06 5p04 I1+ SOC_3p=37.765eV SOC_5p=0.681eV F0_3p5p=14.12444eV G0_3p5p=0.21937eV F2_3p5p=1.13873eV G2_3p5p=0.27719eV F0_5p5p=10.50766eV F2_5p5p=5.66566eV Z=53 3p06 5p05 I0+ SOC_3p=37.765eV SOC_5p=0.598eV F0_3p5p=13.43868eV G0_3p5p=0.19306eV F2_3p5p=1.01528eV G2_3p5p=0.24381eV F0_5p5p=9.93521eV F2_5p5p=5.27471eV Z=53 3p05 5p00 I6+ SOC_3p=38.359eV Z=53 3p05 5p01 I5+ SOC_3p=38.357eV SOC_5p=1.150eV F0_3p5p=17.07948eV G0_3p5p=0.35923eV F2_3p5p=1.77452eV G2_3p5p=0.45461eV Z=53 3p05 5p02 I4+ SOC_3p=38.356eV SOC_5p=1.056eV F0_3p5p=16.57004eV G0_3p5p=0.33093eV F2_3p5p=1.64938eV G2_3p5p=0.41838eV F0_5p5p=12.38075eV F2_5p5p=6.81805eV Z=53 3p05 5p03 I3+ SOC_3p=38.355eV SOC_5p=0.964eV F0_3p5p=16.03958eV G0_3p5p=0.30302eV F2_3p5p=1.52500eV G2_3p5p=0.38277eV F0_5p5p=11.97843eV F2_5p5p=6.56737eV Z=53 3p05 5p04 I2+ SOC_3p=38.355eV SOC_5p=0.875eV F0_3p5p=15.48321eV G0_3p5p=0.27561eV F2_3p5p=1.40151eV G2_3p5p=0.34786eV F0_5p5p=11.54626eV F2_5p5p=6.28984eV Z=53 3p05 5p05 I1+ SOC_3p=38.355eV SOC_5p=0.788eV F0_3p5p=14.89389eV G0_3p5p=0.24878eV F2_3p5p=1.27907eV G2_3p5p=0.31379eV F0_5p5p=11.07430eV F2_5p5p=5.97721eV Z=53 3p05 5p06 I0+ SOC_3p=38.355eV SOC_5p=0.706eV F0_3p5p=14.26240eV G0_3p5p=0.22304eV F2_3p5p=1.15913eV G2_3p5p=0.28117eV F0_5p5p=10.54568eV F2_5p5p=5.61512eV Z=54 1s02 5p00 Xe6+ SOC_1s=0.000eV Z=54 1s02 5p01 Xe5+ SOC_1s=0.000eV SOC_5p=1.214eV Z=54 1s02 5p02 Xe4+ SOC_1s=0.000eV SOC_5p=1.115eV F0_5p5p=12.49149eV F2_5p5p=6.87437eV Z=54 1s02 5p03 Xe3+ SOC_1s=0.000eV SOC_5p=1.019eV F0_5p5p=12.08474eV F2_5p5p=6.62058eV Z=54 1s02 5p04 Xe2+ SOC_1s=0.000eV SOC_5p=0.925eV F0_5p5p=11.64765eV F2_5p5p=6.33962eV Z=54 1s02 5p05 Xe1+ SOC_1s=0.000eV SOC_5p=0.834eV F0_5p5p=11.17007eV F2_5p5p=6.02313eV Z=54 1s02 5p06 Xe0+ SOC_1s=0.000eV SOC_5p=0.745eV F0_5p5p=10.63447eV F2_5p5p=5.65723eV Z=54 1s01 5p00 Xe7+ SOC_1s=0.000eV Z=54 1s01 5p01 Xe6+ SOC_1s=0.000eV SOC_5p=1.500eV Z=54 1s01 5p02 Xe5+ SOC_1s=0.000eV SOC_5p=1.394eV F0_5p5p=13.44340eV F2_5p5p=7.40942eV Z=54 1s01 5p03 Xe4+ SOC_1s=0.000eV SOC_5p=1.290eV F0_5p5p=13.07219eV F2_5p5p=7.18385eV Z=54 1s01 5p04 Xe3+ SOC_1s=0.000eV SOC_5p=1.188eV F0_5p5p=12.67966eV F2_5p5p=6.93868eV Z=54 1s01 5p05 Xe2+ SOC_1s=0.000eV SOC_5p=1.088eV F0_5p5p=12.26024eV F2_5p5p=6.66892eV Z=54 1s01 5p06 Xe1+ SOC_1s=0.000eV SOC_5p=0.990eV F0_5p5p=11.80536eV F2_5p5p=6.36745eV Z=54 2s02 5p00 Xe6+ SOC_2s=0.000eV Z=54 2s02 5p01 Xe5+ SOC_2s=0.000eV SOC_5p=1.214eV Z=54 2s02 5p02 Xe4+ SOC_2s=0.000eV SOC_5p=1.115eV F0_5p5p=12.49149eV F2_5p5p=6.87437eV Z=54 2s02 5p03 Xe3+ SOC_2s=0.000eV SOC_5p=1.019eV F0_5p5p=12.08474eV F2_5p5p=6.62058eV Z=54 2s02 5p04 Xe2+ SOC_2s=0.000eV SOC_5p=0.925eV F0_5p5p=11.64765eV F2_5p5p=6.33962eV Z=54 2s02 5p05 Xe1+ SOC_2s=0.000eV SOC_5p=0.834eV F0_5p5p=11.17007eV F2_5p5p=6.02313eV Z=54 2s02 5p06 Xe0+ SOC_2s=0.000eV SOC_5p=0.745eV F0_5p5p=10.63447eV F2_5p5p=5.65723eV Z=54 2s01 5p00 Xe7+ SOC_2s=0.000eV Z=54 2s01 5p01 Xe6+ SOC_2s=0.000eV SOC_5p=1.440eV Z=54 2s01 5p02 Xe5+ SOC_2s=0.000eV SOC_5p=1.338eV F0_5p5p=13.38775eV F2_5p5p=7.38190eV Z=54 2s01 5p03 Xe4+ SOC_2s=0.000eV SOC_5p=1.238eV F0_5p5p=13.01804eV F2_5p5p=7.15733eV Z=54 2s01 5p04 Xe3+ SOC_2s=0.000eV SOC_5p=1.140eV F0_5p5p=12.62722eV F2_5p5p=6.91317eV Z=54 2s01 5p05 Xe2+ SOC_2s=0.000eV SOC_5p=1.045eV F0_5p5p=12.21019eV F2_5p5p=6.64378eV Z=54 2s01 5p06 Xe1+ SOC_2s=0.000eV SOC_5p=0.951eV F0_5p5p=11.75710eV F2_5p5p=6.34403eV Z=54 3s02 5p00 Xe6+ SOC_3s=0.000eV Z=54 3s02 5p01 Xe5+ SOC_3s=0.000eV SOC_5p=1.214eV F0_3s5p=17.23238eV G1_3s5p=0.39383eV Z=54 3s02 5p02 Xe4+ SOC_3s=0.000eV SOC_5p=1.115eV F0_3s5p=16.71628eV G1_3s5p=0.36238eV F0_5p5p=12.49149eV F2_5p5p=6.87437eV Z=54 3s02 5p03 Xe3+ SOC_3s=0.000eV SOC_5p=1.019eV F0_3s5p=16.18143eV G1_3s5p=0.33180eV F0_5p5p=12.08474eV F2_5p5p=6.62058eV Z=54 3s02 5p04 Xe2+ SOC_3s=0.000eV SOC_5p=0.925eV F0_3s5p=15.62009eV G1_3s5p=0.30176eV F0_5p5p=11.64765eV F2_5p5p=6.33962eV Z=54 3s02 5p05 Xe1+ SOC_3s=0.000eV SOC_5p=0.834eV F0_3s5p=15.02504eV G1_3s5p=0.27236eV F0_5p5p=11.17007eV F2_5p5p=6.02313eV Z=54 3s02 5p06 Xe0+ SOC_3s=0.000eV SOC_5p=0.745eV F0_3s5p=14.38381eV G1_3s5p=0.24366eV F0_5p5p=10.63447eV F2_5p5p=5.65723eV Z=54 3s01 5p00 Xe7+ SOC_3s=0.000eV Z=54 3s01 5p01 Xe6+ SOC_3s=0.000eV SOC_5p=1.436eV F0_3s5p=18.33458eV G1_3s5p=0.45224eV Z=54 3s01 5p02 Xe5+ SOC_3s=0.000eV SOC_5p=1.334eV F0_3s5p=17.85903eV G1_3s5p=0.42118eV F0_5p5p=13.34185eV F2_5p5p=7.35635eV Z=54 3s01 5p03 Xe4+ SOC_3s=0.000eV SOC_5p=1.236eV F0_3s5p=17.37129eV G1_3s5p=0.39106eV F0_5p5p=12.97459eV F2_5p5p=7.13229eV Z=54 3s01 5p04 Xe3+ SOC_3s=0.000eV SOC_5p=1.136eV F0_3s5p=16.85812eV G1_3s5p=0.36037eV F0_5p5p=12.58498eV F2_5p5p=6.89024eV Z=54 3s01 5p05 Xe2+ SOC_3s=0.000eV SOC_5p=1.041eV F0_3s5p=16.32517eV G1_3s5p=0.33065eV F0_5p5p=12.16926eV F2_5p5p=6.62316eV Z=54 3s01 5p06 Xe1+ SOC_3s=0.000eV SOC_5p=0.948eV F0_3s5p=15.76447eV G1_3s5p=0.30165eV F0_5p5p=11.71867eV F2_5p5p=6.32461eV Z=54 2p06 5p00 Xe6+ SOC_2p=216.307eV Z=54 2p06 5p01 Xe5+ SOC_2p=216.302eV SOC_5p=1.214eV F0_2p5p=17.92801eV G0_2p5p=0.23463eV F2_2p5p=0.72433eV G2_2p5p=0.27733eV Z=54 2p06 5p02 Xe4+ SOC_2p=216.297eV SOC_5p=1.115eV F0_2p5p=17.35518eV G0_2p5p=0.21554eV F2_2p5p=0.66737eV G2_2p5p=0.25470eV F0_5p5p=12.49149eV F2_5p5p=6.87437eV Z=54 2p06 5p03 Xe3+ SOC_2p=216.294eV SOC_5p=1.019eV F0_2p5p=16.76546eV G0_2p5p=0.19706eV F2_2p5p=0.61205eV G2_2p5p=0.23283eV F0_5p5p=12.08474eV F2_5p5p=6.62058eV Z=54 2p06 5p04 Xe2+ SOC_2p=216.291eV SOC_5p=0.925eV F0_2p5p=16.15047eV G0_2p5p=0.17899eV F2_2p5p=0.55773eV G2_2p5p=0.21143eV F0_5p5p=11.64765eV F2_5p5p=6.33962eV Z=54 2p06 5p05 Xe1+ SOC_2p=216.290eV SOC_5p=0.834eV F0_2p5p=15.50316eV G0_2p5p=0.16137eV F2_2p5p=0.50456eV G2_2p5p=0.19059eV F0_5p5p=11.17007eV F2_5p5p=6.02313eV Z=54 2p06 5p06 Xe0+ SOC_2p=216.289eV SOC_5p=0.745eV F0_2p5p=14.81106eV G0_2p5p=0.14422eV F2_2p5p=0.45257eV G2_2p5p=0.17032eV F0_5p5p=10.63447eV F2_5p5p=5.65723eV Z=54 2p05 5p00 Xe7+ SOC_2p=220.297eV Z=54 2p05 5p01 Xe6+ SOC_2p=220.290eV SOC_5p=1.445eV F0_2p5p=19.21046eV G0_2p5p=0.27361eV F2_2p5p=0.84293eV G2_2p5p=0.32413eV Z=54 2p05 5p02 Xe5+ SOC_2p=220.284eV SOC_5p=1.342eV F0_2p5p=18.67568eV G0_2p5p=0.25433eV F2_2p5p=0.78558eV G2_2p5p=0.30122eV F0_5p5p=13.39179eV F2_5p5p=7.38372eV Z=54 2p05 5p03 Xe4+ SOC_2p=220.280eV SOC_5p=1.241eV F0_2p5p=18.12600eV G0_2p5p=0.23539eV F2_2p5p=0.72910eV G2_2p5p=0.27872eV F0_5p5p=13.02187eV F2_5p5p=7.15903eV Z=54 2p05 5p04 Xe3+ SOC_2p=220.276eV SOC_5p=1.143eV F0_2p5p=17.55874eV G0_2p5p=0.21683eV F2_2p5p=0.67358eV G2_2p5p=0.25670eV F0_5p5p=12.63083eV F2_5p5p=6.91473eV Z=54 2p05 5p05 Xe2+ SOC_2p=220.274eV SOC_5p=1.048eV F0_2p5p=16.97316eV G0_2p5p=0.19891eV F2_2p5p=0.61975eV G2_2p5p=0.23544eV F0_5p5p=12.21341eV F2_5p5p=6.64540eV Z=54 2p05 5p06 Xe1+ SOC_2p=220.272eV SOC_5p=0.955eV F0_2p5p=16.35735eV G0_2p5p=0.18124eV F2_2p5p=0.56647eV G2_2p5p=0.21449eV F0_5p5p=11.76026eV F2_5p5p=6.34504eV Z=54 3p06 5p00 Xe6+ SOC_3p=41.497eV Z=54 3p06 5p01 Xe5+ SOC_3p=41.495eV SOC_5p=1.214eV F0_3p5p=17.24309eV G0_3p5p=0.35780eV F2_3p5p=1.77481eV G2_3p5p=0.45460eV Z=54 3p06 5p02 Xe4+ SOC_3p=41.494eV SOC_5p=1.115eV F0_3p5p=16.72614eV G0_3p5p=0.32944eV F2_3p5p=1.64855eV G2_3p5p=0.41807eV F0_5p5p=12.49149eV F2_5p5p=6.87437eV Z=54 3p06 5p03 Xe3+ SOC_3p=41.493eV SOC_5p=1.019eV F0_3p5p=16.19046eV G0_3p5p=0.30183eV F2_3p5p=1.52432eV G2_3p5p=0.38262eV F0_5p5p=12.08474eV F2_5p5p=6.62058eV Z=54 3p06 5p04 Xe2+ SOC_3p=41.493eV SOC_5p=0.925eV F0_3p5p=15.62831eV G0_3p5p=0.27465eV F2_3p5p=1.40090eV G2_3p5p=0.34783eV F0_5p5p=11.64765eV F2_5p5p=6.33962eV Z=54 3p06 5p05 Xe1+ SOC_3p=41.493eV SOC_5p=0.834eV F0_3p5p=15.03247eV G0_3p5p=0.24801eV F2_3p5p=1.27847eV G2_3p5p=0.31383eV F0_5p5p=11.17007eV F2_5p5p=6.02313eV Z=54 3p06 5p06 Xe0+ SOC_3p=41.493eV SOC_5p=0.745eV F0_3p5p=14.39045eV G0_3p5p=0.22194eV F2_3p5p=1.15701eV G2_3p5p=0.28068eV F0_5p5p=10.63447eV F2_5p5p=5.65723eV Z=54 3p05 5p00 Xe7+ SOC_3p=42.135eV Z=54 3p05 5p01 Xe6+ SOC_3p=42.132eV SOC_5p=1.438eV F0_3p5p=18.34591eV G0_3p5p=0.41398eV F2_3p5p=2.02970eV G2_3p5p=0.52545eV Z=54 3p05 5p02 Xe5+ SOC_3p=42.130eV SOC_5p=1.336eV F0_3p5p=17.86921eV G0_3p5p=0.38570eV F2_3p5p=1.90561eV G2_3p5p=0.48910eV F0_5p5p=13.33836eV F2_5p5p=7.35396eV Z=54 3p05 5p03 Xe4+ SOC_3p=42.128eV SOC_5p=1.238eV F0_3p5p=17.38106eV G0_3p5p=0.35837eV F2_3p5p=1.78423eV G2_3p5p=0.45405eV F0_5p5p=12.97116eV F2_5p5p=7.12974eV Z=54 3p05 5p04 Xe3+ SOC_3p=42.127eV SOC_5p=1.138eV F0_3p5p=16.86568eV G0_3p5p=0.33024eV F2_3p5p=1.65950eV G2_3p5p=0.41805eV F0_5p5p=12.58128eV F2_5p5p=6.88794eV Z=54 3p05 5p05 Xe2+ SOC_3p=42.127eV SOC_5p=1.042eV F0_3p5p=16.33204eV G0_3p5p=0.30318eV F2_3p5p=1.53772eV G2_3p5p=0.38350eV F0_5p5p=12.16556eV F2_5p5p=6.62076eV Z=54 3p05 5p06 Xe1+ SOC_3p=42.126eV SOC_5p=0.949eV F0_3p5p=15.77000eV G0_3p5p=0.27666eV F2_3p5p=1.41698eV G2_3p5p=0.34973eV F0_5p5p=11.71471eV F2_5p5p=6.32209eV