!----------------------------------------------------------------------
! Basis Set Exchange
! Version 0.11
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: SBKJC-VDZ
! Description: VDZ Valence Double Zeta with ECP
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
H 0
S 2 1.00
5.4471780 0.1562850
0.8245470 0.9046910
S 1 1.00
0.1831920 1.0000000
****
He 0
S 2 1.00
13.6267000 0.1752300
1.9993500 0.8934830
S 1 1.00
0.3829930 1.0000000
****
Li 0
SP 3 1.00
0.617700 -.162870 0.062050
0.143400 0.126430 0.247190
0.050480 0.761790 0.521400
SP 1 1.00
0.019230 0.218000 0.342900
****
Be 0
SP 3 1.00
1.447000 -.156470 0.089240
0.352200 0.109190 0.309990
0.121900 0.675380 0.518420
SP 1 1.00
0.043950 0.329870 0.279110
****
B 0
SP 3 1.00
2.710000 -.149870 0.094740
0.655200 0.084420 0.308070
0.224800 0.697510 0.468760
SP 1 1.00
0.075840 0.328420 0.350250
****
C 0
SP 3 1.00
4.286000 -.147220 0.102570
1.046000 0.081250 0.329870
0.344700 0.713600 0.482120
SP 1 1.00
0.112800 0.315210 0.315930
****
N 0
SP 3 1.00
6.403000 -.139550 0.103360
1.580000 0.054920 0.332050
0.509400 0.716780 0.487080
SP 1 1.00
0.162300 0.332100 0.313120
****
O 0
SP 3 1.00
8.519000 -.145510 0.110070
2.073000 0.082860 0.349690
0.647100 0.743250 0.480930
SP 1 1.00
0.200000 0.284720 0.307270
****
F 0
SP 3 1.00
11.120000 -.144510 0.113000
2.6870000 0.089710 0.358410
0.8210000 0.756590 0.480020
SP 1 1.00
0.247500 0.265700 0.303810
****
Ne 0
SP 3 1.00
14.070000 -.144630 0.115140
3.3890000 0.093310 0.364790
1.0210000 0.762970 0.480520
SP 1 1.00
0.303100 0.256610 0.298960
****
Na 0
SP 3 1.00
0.429900 -.208740 -.025710
0.088970 0.312060 0.216080
0.035500 0.703000 0.541960
SP 1 1.00
0.014550 0.116480 0.354840
****
Mg 0
SP 3 1.00
0.660600 -.244510 -.044210
0.184500 0.253230 0.273230
0.069830 0.697200 0.576260
SP 1 1.00
0.027400 0.216550 0.281520
****
Al 0
SP 3 1.00
0.901100 -.303770 -.079290
0.449500 0.133820 0.165400
0.140500 0.760370 0.530150
SP 1 1.00
0.048740 0.322320 0.477240
****
Si 0
SP 3 1.00
1.167000 -.324030 -.084500
0.526800 0.184380 0.237860
0.180700 0.777370 0.565320
SP 1 1.00
0.064800 0.267670 0.374330
****
P 0
SP 3 1.00
1.459000 -.340910 -.093780
0.654900 0.215350 0.292050
0.225600 0.795780 0.586880
SP 1 1.00
0.081150 0.230920 0.306310
****
S 0
SP 3 1.00
1.817000 -.340150 -.100960
0.837900 0.196010 0.312440
0.285400 0.826660 0.579060
SP 1 1.00
0.099390 0.216520 0.307480
****
Cl 0
SP 3 1.00
2.225000 -.330980 -.126040
1.173000 0.115280 0.299520
0.385100 0.847170 0.583570
SP 1 1.00
0.130100 0.265340 0.340970
****
Ar 0
SP 3 1.00
2.706000 -.312860 -.109270
1.278000 0.118210 0.326010
0.435400 0.867860 0.579520
SP 1 1.00
0.147600 0.222640 0.303490
****
K 0
SP 3 1.00
0.220100 -.286027 -.066245
0.048250 0.482050 0.356898
0.022420 0.675841 0.704426
SP 1 1.00
0.010200 1.000000 1.000000
****
Ca 0
SP 3 1.00
0.260400 -.676466 -.270374
0.143900 0.525693 0.407807
0.048590 0.960216 0.828129
SP 1 1.00
0.021670 1.000000 1.000000
****
Sc 0
SP 4 1.00
40.07000 -.003296 -.007753
3.665000 -.655617 -.615592
3.047000 0.103253 0.780261
0.958800 1.320199 0.834079
SP 1 1.00
0.355700 1.000000 1.000000
SP 2 1.00
1.264000 -.057596 -.031779
0.075020 1.016468 1.004065
SP 1 1.00
0.027410 1.000000 1.000000
D 4 1.00
23.24000 0.026288
6.143000 0.142881
2.007000 0.398178
0.665200 0.640201
D 1 1.00
0.202100 1.000000
D 1 1.00
0.054540 1.000000
****
Ti 0
SP 4 1.00
51.08000 -.002004 -.006949
4.180000 -.619686 -.326613
2.997000 0.156029 0.544254
1.019000 1.248817 0.789631
SP 1 1.00
0.374500 1.000000 1.000000
SP 2 1.00
1.383000 -.072891 -.025949
0.081280 1.020184 1.003353
SP 1 1.00
0.030230 1.000000 1.000000
D 4 1.00
28.11000 0.025746
7.630000 0.141260
2.528000 0.400607
0.854300 0.634532
D 1 1.00
0.267300 1.000000
D 1 1.00
0.074300 1.000000
****
V 0
SP 4 1.00
48.16000 -.004277 -.008007
4.685000 -.545554 -.265673
3.115000 0.131799 0.522944
1.098000 1.218022 0.754434
SP 1 1.00
0.393600 1.000000 1.000000
SP 2 1.00
1.565000 -.085426 -.022816
0.094090 1.023584 1.003066
SP 1 1.00
0.033700 1.000000 1.000000
D 4 1.00
33.36000 0.025530
9.331000 0.140336
3.158000 0.397933
1.113000 0.629027
D 1 1.00
0.360800 1.000000
D 1 1.00
0.100700 1.000000
****
Cr 0
SP 4 1.00
23.120000 -.005918 -.018018
5.0360000 -.590750 -.144996
2.8670000 0.296120 0.497416
1.1440000 1.107646 0.672884
SP 1 1.00
0.452900 1.000000 1.000000
SP 2 1.00
1.571000 -.090329 -.037281
0.096540 1.025164 1.004879
SP 1 1.00
0.034920 1.000000 1.000000
D 4 1.00
37.890000 0.025910
10.580000 0.144130
3.6030000 0.403597
1.2700000 0.620846
D 1 1.00
0.411800 1.000000
D 1 1.00
0.112600 1.000000
****
Mn 0
SP 4 1.00
72.17000 -.002635 -.007172
5.728000 -.593184 -.245649
3.729000 0.224656 0.532283
1.321000 1.175342 0.730536
SP 1 1.00
0.475400 1.000000 1.000000
SP 2 1.00
1.827000 -.096146 -.032600
0.113000 1.026668 1.004376
SP 1 1.00
0.038900 1.000000 1.000000
D 4 1.00
42.63000 0.026095
11.97000 0.146772
4.091000 0.407115
1.450000 0.614590
D 1 1.00
0.470000 1.000000
D 1 1.00
0.128100 1.000000
****
Fe 0
SP 4 1.00
70.28000 -.002611 -.007940
6.061000 -.692435 -.290151
4.134000 0.362530 0.591028
1.421000 1.140645 0.719448
SP 1 1.00
0.512100 1.000000 1.000000
SP 2 1.00
1.978000 -.098172 -.033731
0.121300 1.026957 1.004462
SP 1 1.00
0.041000 1.000000 1.000000
D 4 1.00
47.10000 0.026608
13.12000 0.152010
4.478000 0.413827
1.581000 0.605542
D 1 1.00
0.510000 1.000000
D 1 1.00
0.138200 1.000000
****
Co 0
SP 4 1.00
75.68000 -.005271 -.008085
6.496000 -.705525 -.390988
4.791000 0.347880 0.680078
1.594000 1.175595 0.729594
SP 1 1.00
0.557200 1.000000 1.000000
SP 2 1.00
2.337000 -.089267 -.015935
0.126900 1.022589 1.001945
SP 1 1.00
0.042320 1.000000 1.000000
D 4 1.00
51.69000 0.025447
14.70000 0.149529
4.851000 0.425056
1.643000 0.605465
D 1 1.00
0.507500 1.000000
D 1 1.00
0.143300 1.000000
****
Ni 0
SP 4 1.00
89.36000 -.005220 -.007529
7.265000 -.683993 -.445862
5.572000 0.251050 0.706364
1.850000 1.236451 0.753606
SP 1 1.00
0.659400 1.000000 1.000000
SP 2 1.00
3.235000 -.063418 0.001136
0.129500 1.013237 0.999895
SP 1 1.00
0.043270 1.000000 1.000000
D 4 1.00
58.73000 0.026246
16.71000 0.150334
5.783000 0.413385
2.064000 0.604114
D 1 1.00
0.675200 1.000000
D 1 1.00
0.182500 1.000000
****
Cu 0
SP 4 1.00
83.42000 -.004829 -.008284
7.970000 -.644799 -.321895
5.600000 0.265240 0.618133
1.932000 1.189791 0.722184
SP 1 1.00
0.687400 1.000000 1.000000
SP 2 1.00
2.866000 -.074774 -.000541
0.131900 1.017037 1.000058
SP 1 1.00
0.044000 1.000000 1.000000
D 4 1.00
65.80000 0.025597
18.82000 0.148609
6.538000 0.411786
2.348000 0.605507
D 1 1.00
0.769100 1.000000
D 1 1.00
0.206500 1.000000
****
Zn 0
SP 4 1.00
113.50000 -.004280 -.007429
8.3080000 -.820232 -.432605
6.3320000 0.425006 0.723451
2.1460000 1.198077 0.727217
SP 1 1.00
0.811600 1.000000 1.000000
SP 2 1.00
2.906000 -.082356 -.023001
0.162300 1.021574 1.002824
SP 1 1.00
0.053690 1.000000 1.000000
D 4 1.00
65.99000 0.027653
19.81000 0.158794
6.945000 0.420971
2.543000 0.585277
D 1 1.00
0.916500 1.000000
D 1 1.00
0.326400 1.000000
****
Ga 0
SP 4 1.00
113.9000 -.001711 -.008046
9.155000 -.823036 -.357432
6.633000 0.458618 0.663794
2.278000 1.161817 0.713619
SP 1 1.00
0.881800 1.000000 1.000000
SP 2 1.00
2.123000 -.145506 -.096261
0.193900 1.051147 1.017573
SP 1 1.00
0.074610 1.000000 1.000000
D 4 1.00
70.43000 0.028877
21.05000 0.166253
7.401000 0.427776
2.752000 0.570410
D 1 1.00
1.026000 1.000000
D 1 1.00
0.390700 1.000000
****
Ge 0
SP 4 1.00
1.834000 0.493860 0.006414
1.529000 -.857354 -.086052
0.359400 0.410830 0.383232
0.147000 0.800378 0.698185
SP 1 1.00
0.055980 1.000000 1.000000
****
As 0
SP 4 1.00
2.709000 0.121479 -.002920
1.578000 -.518918 -.095054
0.435800 0.428791 0.424682
0.177600 0.808078 0.671290
SP 1 1.00
0.069840 1.000000 1.000000
****
Se 0
SP 4 1.00
3.711000 0.055744 -.006014
1.586000 -.510520 -.121447
0.533900 0.480755 0.452607
0.208500 0.810292 0.669751
SP 1 1.00
0.078210 1.000000 1.000000
****
Br 0
SP 4 1.00
3.276000 0.200570 0.005411
2.044000 -.649296 -.132391
0.639800 0.405401 0.430027
0.256100 0.872607 0.686009
SP 1 1.00
0.095670 1.000000 1.000000
****
Kr 0
SP 4 1.00
3.081000 0.533789 0.035906
2.413000 -1.001465 -.169695
0.738600 0.415510 0.435080
0.294100 0.880103 0.685760
SP 1 1.00
0.109500 1.000000 1.000000
****
Rb 0
SP 3 1.00
0.154300 -.753390 -.108684
0.098920 0.406270 0.055587
0.032270 1.112487 1.014168
SP 1 1.00
0.014900 1.000000 1.000000
****
Sr 0
SP 3 1.00
0.183600 -1.075139 -.955549
0.125200 0.947037 0.856447
0.039680 0.934226 0.871558
SP 1 1.00
0.018400 1.000000 1.000000
****
Y 0
SP 4 1.00
29.84000 -.006294 -.003457
3.242000 1.436231 -.097386
2.694000 -2.550213 -.098933
0.843000 1.756065 1.112190
SP 1 1.00
0.301500 1.000000 1.000000
SP 2 1.00
1.324000 -.057976 -.025891
0.068060 1.014874 1.002833
SP 1 1.00
0.027290 1.000000 1.000000
D 3 1.00
5.399000 0.012020
1.066000 0.342950
0.389200 0.739397
D 1 1.00
0.130000 1.000000
D 1 1.00
0.041210 1.000000
****
Zr 0
SP 4 1.00
30.530000 -.004504 -.004092
3.5180000 1.708899 -.078665
2.9710000 -2.918518 -.140588
0.9587000 1.822958 1.130526
SP 1 1.00
0.376400 1.000000 1.000000
SP 2 1.00
0.929300 -.061958 -.060217
0.069100 1.020739 1.009302
SP 1 1.00
0.027590 1.000000 1.000000
D 3 1.00
6.191000 0.012000
1.320000 0.325005
0.535900 0.740299
D 1 1.00
0.190000 1.000000
D 1 1.00
0.059000 1.000000
****
Nb 0
SP 4 1.00
38.53000 -.002059 -.003576
3.907000 1.618867 -.033217
3.274000 -2.830860 -.185568
1.052000 1.818465 1.133471
SP 1 1.00
0.416500 1.000000 1.000000
SP 2 1.00
1.057000 -.071919 -.067815
0.078760 1.023797 1.010254
SP 1 1.00
0.030910 1.000000 1.000000
D 3 1.00
7.994000 0.010433
1.550000 0.318071
0.666600 0.739654
D 1 1.00
0.246200 1.000000
D 1 1.00
0.078600 1.000000
****
Mo 0
SP 4 1.00
39.67000 -.009716 -.004015
4.633000 0.770126 -.034146
3.208000 -2.229530 -.251817
1.224000 2.046495 1.192347
SP 1 1.00
0.472800 1.000000 1.000000
SP 2 1.00
1.181000 -.075222 -.071971
0.084890 1.024137 1.010227
SP 1 1.00
0.032760 1.000000 1.000000
D 3 1.00
9.051000 0.010883
1.777000 0.311829
0.784800 0.741802
D 1 1.00
0.289900 1.000000
D 1 1.00
0.091070 1.000000
****
Tc 0
SP 4 1.00
48.87000 -.006485 -.003492
4.770000 1.330930 0.037514
3.740000 -2.698832 -.297801
1.305000 1.956263 1.174900
SP 1 1.00
0.494000 1.000000 1.000000
SP 2 1.00
1.744000 -.094275 -.085401
0.120600 1.028604 1.010946
SP 1 1.00
0.043100 1.000000 1.000000
D 3 1.00
9.451000 0.012195
1.887000 0.346950
0.850600 0.707123
D 1 1.00
0.325800 1.000000
D 1 1.00
0.103100 1.000000
****
Ru 0
SP 4 1.00
56.00000 -.002837 -.003198
4.625000 1.891661 -.103766
3.793000 -3.431011 -.127594
1.367000 2.074446 1.146533
SP 1 1.00
0.518300 1.000000 1.000000
SP 2 1.00
1.528000 -.069035 -.072990
0.096730 1.020343 1.008642
SP 1 1.00
0.036360 1.000000 1.000000
D 3 1.00
10.30000 0.011961
2.044000 0.364575
0.898800 0.694316
D 1 1.00
0.344300 1.000000
D 1 1.00
0.110800 1.000000
****
Rh 0
SP 4 1.00
56.870000 -.003087 -.003748
5.9450000 0.700510 -.014772
4.0780000 -2.160867 -.268975
1.5470000 2.029434 1.193604
SP 1 1.00
0.596300 1.000000 1.000000
SP 2 1.00
1.894000 -.081700 -.071093
0.117900 1.023308 1.008280
SP 1 1.00
0.042190 1.000000 1.000000
D 3 1.00
11.56000 0.013519
2.240000 0.370081
1.015000 0.684936
D 1 1.00
0.396000 1.000000
D 1 1.00
0.126200 1.000000
****
Pd 0
SP 4 1.00
41.82000 -.016522 -.005555
5.460000 2.749478 0.056773
4.600000 -4.457343 -.388641
1.752000 2.253933 1.231997
SP 1 1.00
0.669100 1.000000 1.000000
SP 2 1.00
2.177000 -.075029 -.056178
0.114900 1.019049 1.005515
SP 1 1.00
0.042190 1.000000 1.000000
D 3 1.00
12.40000 0.013759
2.404000 0.394121
1.143000 0.655946
D 1 1.00
0.469300 1.000000
D 1 1.00
0.151300 1.000000
****
Ag 0
SP 4 1.00
63.56000 -.000731 -.004234
6.390000 1.392736 0.061276
5.022000 -2.873102 -.338746
1.789000 2.017361 1.190832
SP 1 1.00
0.687100 1.000000 1.000000
SP 2 1.00
2.451000 -.072539 -.049830
0.156100 1.021358 1.006516
SP 1 1.00
0.052270 1.000000 1.000000
D 3 1.00
14.64000 0.013628
2.693000 0.372695
1.233000 0.681294
D 1 1.00
0.505700 1.000000
D 1 1.00
0.190000 1.000000
****
Cd 0
SP 4 1.00
63.380000 -.000464 -.004874
6.7140000 2.292877 0.189630
5.6020000 -3.902884 -.491872
1.9710000 2.084604 1.213501
SP 1 1.00
0.768900 1.000000 1.000000
SP 2 1.00
2.696000 -.064866 -.053338
0.175800 1.019661 1.007102
SP 1 1.00
0.056470 1.000000 1.000000
D 3 1.00
15.510000 0.012065
2.9410000 0.370168
1.3790000 0.680760
D 1 1.00
0.578200 1.000000
D 1 1.00
0.230000 1.000000
****
In 0
SP 4 1.00
71.76000 0.000733 -.004513
7.654000 1.089781 0.031615
5.616000 -2.731089 -.338006
2.104000 2.112844 1.213464
SP 1 1.00
0.841000 1.000000 1.000000
SP 2 1.00
2.610000 -.099690 -.110317
0.190100 1.031230 1.013900
SP 1 1.00
0.082670 1.000000 1.000000
D 3 1.00
17.16000 0.014893
3.127000 0.388135
1.475000 0.662639
D 1 1.00
0.645200 1.000000
D 1 1.00
0.275400 1.000000
****
Sn 0
SP 4 1.00
2.604000 0.031042 -.005053
0.753200 -.611859 -.180100
0.319100 0.548163 0.370068
0.123900 0.849150 0.781334
SP 1 1.00
0.047980 1.000000 1.000000
****
Sb 0
SP 4 1.00
0.992200 0.690076 0.180229
0.808900 -1.580495 -.487093
0.431200 0.815248 0.473936
0.149800 0.894994 0.804414
SP 1 1.00
0.058030 1.000000 1.000000
****
Te 0
SP 4 1.00
2.364000 0.087179 -.003982
0.976900 -.776826 -.236900
0.464700 0.563250 0.401467
0.177100 0.926053 0.793179
SP 1 1.00
0.067370 1.000000 1.000000
****
I 0
SP 4 1.00
2.625000 0.073660 -.008880
1.014000 -.836870 -.257351
0.500900 0.656247 0.455368
0.202300 0.900744 0.760107
SP 1 1.00
0.078000 1.000000 1.000000
****
Xe 0
SP 4 1.00
1.739000 0.349091 -.005429
1.169000 -1.197512 -.277342
0.576500 0.758409 0.467189
0.221800 0.888699 0.763456
SP 1 1.00
0.084860 1.000000 1.000000
****
Cs 0
SP 3 1.00
0.115700 -.519994 -.150560
0.053170 0.493361 0.221602
0.018970 0.872312 0.896486
SP 1 1.00
0.007740 1.000000 1.000000
****
Ba 0
SP 3 1.00
0.126600 -1.560287 -.686637
0.094330 1.482538 0.807346
0.030200 0.878917 0.822436
SP 1 1.00
0.015310 1.000000 1.000000
****
La 0
SP 5 1.00
9.173000 -.054833 -.009798
3.120000 0.676604 0.231262
2.104000 -1.034429 -.601215
1.320000 -.518907 0.195189
0.496000 1.631603 1.076137
SP 1 1.00
0.200400 1.000000 1.000000
SP 2 1.00
0.618200 -.107095 -.051869
0.045460 1.033448 1.008108
SP 1 1.00
0.017750 1.000000 1.000000
D 3 1.00
1.238000 -.053797
0.606100 0.380144
0.251800 0.720349
D 1 1.00
0.097870 1.000000
D 1 1.00
0.035360 1.000000
****
Ce 0
SP 3 1.00
4.2910000 -1.4295170 -0.9123110
3.4570000 3.1374910 1.9497170
2.2900000 -2.6758480 -2.0200370
SP 1 1.00
0.6684000 1.0000000 1.0000000
SP 1 1.00
0.2857000 1.0000000 1.0000000
SP 1 1.00
0.0695700 1.0000000 1.0000000
D 2 1.00
0.5916000 0.3946620
0.3002000 0.6503440
D 1 1.00
0.1244000 1.0000000
F 5 1.00
83.8800000 0.0073850
29.9700000 0.0618920
13.0500000 0.2011820
5.7270000 0.3887940
2.5490000 0.5522320
F 2 1.00
1.0750000 0.7217270
0.3986000 0.3878060
****
Hf 0
SP 1 1.00
0.644800 1.000000 1.000000
SP 4 1.00
4.711000 0.403273 0.013791
3.331000 -.996540 -.179991
0.984400 0.979338 0.693601
0.358700 0.445791 0.461877
SP 1 1.00
0.085680 1.000000 1.000000
SP 1 1.00
0.035000 1.000000 1.000000
D 3 1.00
3.298000 -.005062
0.928600 0.427636
0.340500 0.667943
D 1 1.00
0.123000 1.000000
D 1 1.00
0.042680 1.000000
****
Ta 0
SP 1 1.00
0.731500 1.000000 1.000000
SP 4 1.00
5.554000 0.264429 0.016092
3.436000 -.865843 -.182862
1.033000 1.008583 0.722442
0.374700 0.420826 0.436168
SP 1 1.00
0.093400 1.000000 1.000000
SP 1 1.00
0.036840 1.000000 1.000000
D 3 1.00
3.438000 -.010797
1.016000 0.439474
0.373300 0.658929
D 1 1.00
0.135100 1.000000
D 1 1.00
0.048070 1.000000
****
W 0
SP 1 1.00
0.821900 1.000000 1.000000
SP 4 1.00
4.328000 1.973960 0.172752
3.898000 -2.605377 -.348372
1.108000 1.052920 0.727425
0.404700 0.412613 0.434635
SP 1 1.00
0.097760 1.000000 1.000000
SP 1 1.00
0.037500 1.000000 1.000000
D 3 1.00
3.653000 -.016297
1.112000 0.450108
0.414800 0.648857
D 1 1.00
0.149500 1.000000
D 1 1.00
0.052550 1.000000
****
Re 0
SP 1 1.00
0.912700 1.000000 1.000000
SP 4 1.00
4.666000 1.451709 0.156457
4.062000 -2.101771 -.342900
1.188000 1.062295 0.738595
0.433900 0.416694 0.432092
SP 1 1.00
0.104800 1.000000 1.000000
SP 1 1.00
0.039810 1.000000 1.000000
D 3 1.00
3.846000 -.021360
1.216000 0.456284
0.458500 0.643606
D 1 1.00
0.165900 1.000000
D 1 1.00
0.058360 1.000000
****
Os 0
SP 1 1.00
1.002000 1.000000 1.000000
SP 4 1.00
5.019000 1.726729 0.283956
4.444000 -2.364185 -.462163
1.230000 1.070406 0.763251
0.450100 0.391956 0.403944
SP 1 1.00
0.110400 1.000000 1.000000
SP 1 1.00
0.041010 1.000000 1.000000
D 3 1.00
3.829000 -.028163
1.339000 0.457633
0.516500 0.642551
D 1 1.00
0.188000 1.000000
D 1 1.00
0.065520 1.000000
****
Ir 0
SP 1 1.00
1.116000 1.000000 1.000000
SP 4 1.00
5.522000 1.052849 0.143988
4.579000 -1.697001 -.325563
1.289000 1.087609 0.776442
0.473400 0.377230 0.389328
SP 1 1.00
0.115900 1.000000 1.000000
SP 1 1.00
0.042760 1.000000 1.000000
D 3 1.00
4.393000 -.025391
1.403000 0.475718
0.559300 0.618182
D 1 1.00
0.212900 1.000000
D 1 1.00
0.076340 1.000000
****
Pt 0
SP 1 1.00
1.200000 1.000000 1.000000
SP 4 1.00
6.653000 0.282256 0.036575
3.995000 -1.075967 -.284606
1.541000 1.131255 0.752346
0.559900 0.478241 0.476585
SP 1 1.00
0.127700 1.000000 1.000000
SP 1 1.00
0.047540 1.000000 1.000000
D 3 1.00
4.658000 -.026327
1.487000 0.495995
0.609300 0.594877
D 1 1.00
0.252700 1.000000
D 1 1.00
0.095080 1.000000
****
Au 0
SP 1 1.00
1.502000 1.000000 1.000000
SP 4 1.00
7.419000 0.222546 0.019924
4.023000 -1.086045 -.299997
1.698000 1.156039 0.748919
0.627100 0.518061 0.504023
SP 1 1.00
0.151500 1.000000 1.000000
SP 1 1.00
0.049250 1.000000 1.000000
D 3 1.00
3.630000 -.087402
1.912000 0.468634
0.842300 0.654805
D 1 1.00
0.375600 1.000000
D 1 1.00
0.154400 1.000000
****
Hg 0
SP 1 1.00
1.586000 1.000000 1.000000
SP 5 1.00
25.54000 -.022041 -.006068
8.458000 0.309845 0.063000
4.493000 -1.080984 -.314502
1.751000 1.093600 0.746398
0.675300 0.519202 0.487253
SP 1 1.00
0.152000 1.000000 1.000000
SP 1 1.00
0.047800 1.000000 1.000000
D 3 1.00
4.204000 -.055849
1.871000 0.478221
0.821500 0.622006
D 1 1.00
0.370000 1.000000
D 1 1.00
0.167400 1.000000
****
Tl 0
SP 1 1.00
1.629000 1.000000 1.000000
SP 5 1.00
27.72000 -.015939 -.005281
8.583000 0.307229 0.072455
4.650000 -1.124512 -.343413
1.876000 1.114798 0.759620
0.736900 0.531758 0.489550
SP 1 1.00
0.160000 1.000000 1.000000
SP 1 1.00
0.061810 1.000000 1.000000
D 3 1.00
4.284000 -.077432
2.136000 0.455402
0.983200 0.652892
D 1 1.00
0.450000 1.000000
D 1 1.00
0.204000 1.000000
****
Pb 0
SP 4 1.00
1.534000 0.225652 0.028257
0.992300 -.658998 -.140659
0.224100 0.766214 0.428132
0.096640 0.500934 0.663422
SP 1 1.00
0.039000 1.000000 1.000000
****
Bi 0
SP 4 1.00
1.746000 0.162327 0.016087
0.992500 -.653854 -.158284
0.264200 0.801350 0.460932
0.113500 0.516861 0.649770
SP 1 1.00
0.046420 1.000000 1.000000
****
Po 0
SP 4 1.00
1.897000 0.132690 0.006796
1.000000 -.681546 -.176142
0.310700 0.840179 0.490092
0.127300 0.536942 0.645759
SP 1 1.00
0.051000 1.000000 1.000000
****
At 0
SP 4 1.00
2.676000 0.068973 -.002652
0.980500 -.718668 -.194971
0.359800 0.917123 0.506172
0.148300 0.546749 0.653171
SP 1 1.00
0.058870 1.000000 1.000000
****
Rn 0
SP 4 1.00
2.489000 0.082820 0.004727
1.013000 -.803200 -.231180
0.407200 0.983073 0.541354
0.164600 0.553051 0.647745
SP 1 1.00
0.065000 1.000000 1.000000
****
LI 0
LI-ECP 1 2
p potential
1
1 1.3430600 -0.7306300
s-p potential
2
0 0.6128400 1.8013100
2 1.6488100 3.5497100
BE 0
BE-ECP 1 2
p potential
1
1 2.7934700 -0.7897000
s-p potential
2
0 1.1987400 1.8422900
2 3.2073800 6.8116900
B 0
B-ECP 1 2
p potential
1
1 5.6462200 -0.8835500
s-p potential
2
0 1.9206100 1.8957200
2 5.5517700 10.9754300
C 0
C-ECP 1 2
p potential
1
1 8.5646800 -0.8937100
s-p potential
2
0 2.8149700 1.9292600
2 8.1129600 14.8819900
N 0
N-ECP 1 2
p potential
1
1 11.9968600 -0.9121200
s-p potential
2
0 3.8389500 1.9356500
2 11.7324700 21.7335500
O 0
O-ECP 1 2
p potential
1
1 16.1171800 -0.9255000
s-p potential
2
0 5.0534800 1.9606900
2 15.9533300 29.1344200
F 0
F-ECP 1 2
p potential
1
1 20.7395900 -0.9325800
s-p potential
2
0 6.6048800 2.0364900
2 18.2409200 27.8627900
NE 0
NE-ECP 1 2
p potential
1
1 26.0166600 -0.9409800
s-p potential
2
0 8.2804700 2.0995200
2 22.4410200 31.4671800
NA 0
NA-ECP 2 10
d potential
1
1 0.9000900 -2.3844600
s-d potential
2
0 5.3723200 6.2341500
2 1.1195900 9.0837400
p-d potential
2
0 1.2915800 3.2397100
2 0.6579100 2.5351400
MG 0
MG-ECP 2 10
d potential
1
1 1.3922000 -2.7729600
s-d potential
2
0 6.9629100 6.4102900
2 1.5545800 14.1272700
p-d potential
2
0 1.8917700 3.2476200
2 0.9823500 4.3301200
AL 0
AL-ECP 2 10
d potential
1
1 1.9555900 -3.0305500
s-d potential
2
0 7.7885800 6.0465000
2 1.9902500 18.8750900
p-d potential
2
0 2.8314600 3.2946500
2 1.3847900 6.8702900
SI 0
SI-ECP 2 10
d potential
1
1 2.4627200 -2.9824000
s-d potential
2
0 9.4633800 6.0055800
2 2.4440800 23.7764200
p-d potential
2
0 3.8258500 3.2034500
2 1.8302600 9.8643800
P 0
P-ECP 2 10
d potential
1
1 3.1894500 -3.1636100
s-d potential
2
0 11.7932800 6.2076000
2 2.9533000 29.4002400
p-d potential
2
0 4.9636800 3.2408400
2 2.3186500 13.1077800
S 0
S-ECP 2 10
d potential
1
1 3.9893000 -3.2983900
s-d potential
2
0 15.5806400 6.4449600
2 3.5017600 35.6270800
p-d potential
2
0 6.8854000 3.3570500
2 2.9069000 17.5423700
CL 0
CL-ECP 2 10
d potential
1
1 4.8748300 -3.4073800
s-d potential
2
0 17.0036700 6.5096600
2 4.1038000 42.2778500
p-d potential
2
0 8.9002900 3.4286000
2 3.5264800 22.1525600
AR 0
AR-ECP 2 10
d potential
1
1 5.8230300 -3.4880600
s-d potential
2
0 25.9384100 7.6785500
2 4.7378000 49.9263700
p-d potential
2
0 11.4117800 3.5250000
2 4.2047600 27.4168600
K 0
K-ECP 2 18
d potential
1
1 0.4965200 -4.3000200
s-d potential
2
0 2.4873100 6.7153000
2 0.6019000 8.4668300
p-d potential
2
0 0.9417000 7.0625200
2 0.3362300 2.6986800
CA 0
CA-ECP 2 18
d potential
2
1 2.3804500 -5.8197000
1 0.4063900 -2.1654800
s-d potential
2
0 2.1054300 8.0052200
2 0.6686500 8.9475100
p-d potential
2
0 1.7941300 8.6622200
2 0.4932300 5.5721800
SC 0
SC-ECP 2 10
d potential
1
1 9.9571200 -3.6695600
s-d potential
3
0 1.4640900 3.7188500
2 3.5921700 178.2606600
2 3.3258300 -161.7839400
p-d potential
2
0 23.5384900 3.9304800
2 6.5841500 45.6914000
TI 0
TI-ECP 2 10
d potential
1
1 11.2097100 -3.6658100
s-d potential
3
0 1.6117200 3.8806700
2 4.0096000 172.2505100
2 3.6640600 -155.0835600
p-d potential
2
0 31.6778200 4.0443300
2 7.4579300 53.0004800
V 0
V-ECP 2 10
d potential
1
1 12.7965900 -3.7914600
s-d potential
3
0 1.5043900 3.4325800
2 4.2732100 178.0395700
2 3.8412100 -156.3060500
p-d potential
2
0 30.8372000 3.7648100
2 8.3445400 58.9650300
CR 0
CR-ECP 2 10
d potential
1
1 13.9330700 -3.6436200
s-d potential
3
0 1.7213600 3.5967900
2 4.7568100 184.0766300
2 4.2534800 -161.4199600
p-d potential
2
0 32.2822300 3.6886200
2 9.2813700 65.4804600
MN 0
MN-ECP 2 10
d potential
1
1 15.8859200 -3.8525400
s-d potential
3
0 2.0598100 3.7126400
2 5.4324800 181.6744200
2 4.7988700 -156.3370400
p-d potential
2
0 49.7676500 4.3680400
2 10.3662300 75.5324200
FE 0
FE-ECP 2 10
d potential
1
1 17.6191000 -3.8942300
s-d potential
3
0 2.3315000 3.8170600
2 6.0836500 172.0534900
2 5.2665900 -144.7005600
p-d potential
2
0 49.4045600 4.1373700
2 11.4018300 82.7369600
CO 0
CO-ECP 2 10
d potential
1
1 19.4455900 -3.9474600
s-d potential
3
0 2.2593500 3.0770500
2 6.6666500 215.4838200
2 5.7681800 -174.1181600
p-d potential
2
0 50.2814600 3.9532100
2 12.5261000 90.9004300
NI 0
NI-ECP 2 10
d potential
1
1 21.3637300 -3.9933700
s-d potential
3
0 2.2181700 3.4257200
2 6.7158500 218.5414600
2 5.8085600 -184.1096100
p-d potential
2
0 56.4535300 3.8754000
2 13.6653400 99.6828900
CU 0
CU-ECP 2 10
d potential
1
1 23.2906000 -4.0027600
s-d potential
3
0 2.6205900 3.3246500
2 7.8108200 224.3233000
2 6.6332400 -180.3047000
p-d potential
2
0 51.1573400 3.4213000
2 14.7340600 105.7012600
ZN 0
ZN-ECP 2 10
d potential
1
1 24.8870500 -3.9164800
s-d potential
3
0 2.7915900 3.4308200
2 8.3267600 244.3163400
2 7.0965100 -199.4271100
p-d potential
2
0 75.7060300 4.1147300
2 16.0762700 118.2993600
GA 0
GA-ECP 2 10
d potential
1
1 26.7430200 -3.8736300
s-d potential
3
0 3.4653000 4.1247200
2 9.1113000 260.7326300
2 7.8932900 -223.9600300
p-d potential
2
0 79.9935300 4.2003300
2 17.3911400 127.9913900
GE 0
GE-ECP 3 28
f potential
1
1 0.8275100 -1.2685900
s-f potential
2
0 12.2483900 6.7702700
2 2.4129100 27.2190700
p-f potential
2
0 15.5555600 8.3125300
2 1.8203100 15.5329200
d-f potential
2
0 3.0697000 1.6236000
2 0.8052500 3.2066000
AS 0
AS-ECP 3 28
f potential
1
1 1.6458300 -4.7702800
s-f potential
2
0 20.7616000 13.0339800
2 2.8008400 43.1242900
p-f potential
2
0 16.0583400 6.4406300
2 2.2943200 28.1211700
d-f potential
2
0 1.1208600 2.2350800
2 1.1214000 4.6072100
SE 0
SE-ECP 3 28
f potential
1
1 2.0935600 -5.5849800
s-f potential
2
0 20.5564400 13.2808100
2 3.1549000 51.0001100
p-f potential
2
0 2.5849500 1.7964000
2 2.5852600 30.4378700
d-f potential
2
0 1.3829000 2.4000100
2 1.4267100 6.5994800
BR 0
BR-ECP 3 28
f potential
1
1 2.1211600 -4.7820600
s-f potential
2
0 3.2153800 2.6019000
2 3.2163900 44.1516500
p-f potential
2
0 2.7270400 2.0947800
2 2.7276200 30.5954600
d-f potential
2
0 1.7316800 1.7937500
2 1.7324600 10.0466000
KR 0
KR-ECP 3 28
f potential
1
1 2.6429500 -5.6122000
s-f potential
2
0 3.5927600 2.3606600
2 3.5793300 51.8862900
p-f potential
2
0 3.0713200 2.3498200
2 3.0723800 35.6702900
d-f potential
2
0 7.0867700 2.8545900
2 2.1505800 16.2938600
RB 0
RB-ECP 3 36
f potential
1
1 0.3639500 -3.2394200
s-f potential
3
2 0.2104800 -2.4985500
0 0.1869300 26.3742800
0 0.4003100 -21.2081300
p-f potential
2
2 0.2653900 2.4883900
0 0.6985000 5.4600200
d-f potential
3
2 0.1350700 -4.3886100
0 0.0827200 28.3265400
0 0.2636500 -26.5945800
SR 0
SR-ECP 3 36
f potential
1
1 0.5167600 -4.1359600
s-f potential
3
2 0.2323100 -3.7912100
0 0.1802900 24.1676800
0 0.5217000 -17.3854200
p-f potential
2
2 0.4022700 5.4643900
0 1.3007400 10.4984100
d-f potential
3
2 0.2694900 -1.7372700
0 0.2555000 37.4395600
0 0.2886800 -36.0039300
Y 0
Y-ECP 3 28
f potential
1
1 3.1332300 -3.7082700
s-f potential
3
0 0.7473400 3.5245800
2 2.1104600 -115.6779500
2 2.3743100 141.6655100
p-f potential
3
0 0.8292400 3.4531900
2 1.9297300 -67.4619200
2 2.2037900 85.0945300
d-f potential
2
0 9.3677000 2.2959000
2 2.8303800 20.6218200
ZR 0
ZR-ECP 3 28
f potential
1
1 4.3144100 -6.1192300
s-f potential
3
0 0.9303500 4.5703100
2 2.3300300 -112.5585400
2 2.6663200 139.0297200
p-f potential
3
0 0.9775300 4.0452400
2 2.1499800 -66.6476800
2 2.5089200 86.3703400
d-f potential
2
0 16.5759800 5.6408500
2 3.3207900 26.6609300
NB 0
NB-ECP 3 28
f potential
1
1 4.6419800 -5.8169500
s-f potential
3
0 1.0733900 4.9993700
2 2.5117400 -100.1785600
2 2.9394000 127.2157000
p-f potential
3
0 0.9962600 3.6479400
2 2.2802000 -62.1743700
2 2.7336000 85.8084500
d-f potential
2
0 10.4880300 2.7720600
2 3.6426600 29.0524600
MO 0
MO-ECP 3 28
f potential
1
1 5.6250700 -7.2300900
s-f potential
3
0 1.0190700 3.8369500
2 2.6838600 -90.1915100
2 3.2794500 129.3521400
p-f potential
3
0 1.1095700 3.8329500
2 2.4970800 -62.9823100
2 3.0474000 89.7747800
d-f potential
2
0 9.7040000 2.7348600
2 4.0309800 32.5323100
TC 0
TC-ECP 3 28
f potential
1
1 6.2606700 -7.5435600
s-f potential
3
0 1.1773100 4.3137700
2 2.8641800 -80.6184700
2 3.6143200 120.8254700
p-f potential
3
0 1.0844900 3.3895200
2 2.5990700 -57.0656800
2 3.3045200 89.0301600
d-f potential
2
0 11.6209200 2.8636500
2 4.4590000 37.1801400
RU 0
RU-ECP 3 28
f potential
1
1 6.9830400 -7.9844800
s-f potential
3
0 1.2939300 4.8238400
2 3.0487100 -81.3193600
2 3.8716300 124.3691700
p-f potential
3
0 1.2027300 3.8659000
2 2.8230300 -72.1504800
2 3.4839100 103.6700600
d-f potential
2
0 14.3374300 3.2108300
2 4.9000300 42.0732100
RH 0
RH-ECP 3 28
f potential
1
1 7.6496800 -8.1322500
s-f potential
3
0 1.3377700 5.2077300
2 2.9530800 -50.0684600
2 4.3913100 90.3685900
p-f potential
3
0 1.1946800 3.8587400
2 2.9243400 -72.7434800
2 3.6750300 106.1161500
d-f potential
2
0 17.8924800 3.3482500
2 5.3487400 47.1388300
PD 0
PD-ECP 3 28
f potential
1
1 8.3432700 -8.3346600
s-f potential
3
0 1.2131500 3.9780900
2 4.0330100 218.9925000
2 3.4577200 -168.4440400
p-f potential
3
0 1.4560700 4.1402100
2 4.0551000 108.3260100
2 3.2161600 -72.8314700
d-f potential
2
0 19.5447700 3.3061100
2 5.8466400 52.7880200
AG 0
AG-ECP 3 28
f potential
1
1 9.0169600 -8.4466900
s-f potential
3
0 1.5174000 6.2063400
2 3.2308800 -56.8262400
2 4.8274700 92.4017300
p-f potential
3
0 1.2169900 3.7563700
2 3.1861500 -80.9533500
2 4.0534900 118.8680100
d-f potential
2
0 22.9402000 3.4089500
2 6.2662700 57.1051300
CD 0
CD-ECP 3 28
f potential
1
1 9.8132500 -8.6986400
s-f potential
3
0 1.6047600 6.5693400
2 3.3772700 -59.3639500
2 5.0887600 93.5961000
p-f potential
3
0 1.2517100 3.6786300
2 3.4259200 -104.5069400
2 4.2141500 145.6731600
d-f potential
2
0 22.3533700 3.3309400
2 6.7540800 62.0661600
IN 0
IN-ECP 3 28
f potential
1
1 10.5898700 -8.8403100
s-f potential
3
0 1.7388300 6.9012400
2 3.6280600 -68.4831900
2 5.3027000 101.7727200
p-f potential
3
0 1.4304500 3.9855400
2 3.7444700 -129.7859400
2 4.4767900 171.9048700
d-f potential
2
0 29.1607200 3.4924400
2 7.2656600 68.2781600
SN 0
SN-ECP 3 46
f potential
1
1 0.8205000 -5.6068200
s-f potential
3
0 2.6050400 7.1848700
2 0.9578000 -73.0658100
2 1.0135600 91.8477100
p-f potential
3
0 0.6794700 5.0731100
2 0.7427600 -87.0367400
2 0.7629200 95.3704800
d-f potential
2
0 1.6543000 5.1024300
2 0.6030100 5.2746600
SB 0
SB-ECP 3 46
f potential
2
1 0.7549000 -2.9095100
1 2.8307200 -12.4492100
s-f potential
3
0 5.8681900 7.5559200
2 1.1003600 -53.0139500
2 1.2179000 79.9905300
p-f potential
3
0 3.5143000 8.3036000
2 0.8646100 -29.0470800
2 0.9602900 45.5661000
d-f potential
2
0 2.4598100 9.2218200
2 0.7641500 7.9212900
TE 0
TE-ECP 3 46
f potential
2
1 0.9484700 -3.9598400
1 3.9468200 -13.4287100
s-f potential
3
0 3.4940000 12.9566500
2 1.2147700 -47.4588200
2 1.3353000 72.7751400
p-f potential
3
0 1.3739400 8.4792100
2 1.2776100 -39.4068400
2 1.2842500 51.9367300
d-f potential
2
0 3.6661800 11.5466300
2 0.9318900 11.2377600
I 0
I-ECP 3 46
f potential
2
1 0.9762800 -3.6963900
1 4.3334300 -14.0030500
s-f potential
3
0 4.1307100 12.1112300
2 1.3337500 -41.0920600
2 1.4912100 70.7376100
p-f potential
3
0 3.0469200 10.5927100
2 1.0633900 -46.0227300
2 1.1440500 65.0504700
d-f potential
2
0 3.9306300 9.7308900
2 1.0692000 13.9888000
XE 0
XE-ECP 3 46
f potential
2
1 1.2706800 -5.1053800
1 5.9046900 -14.3987300
s-f potential
3
0 7.1574400 13.4427800
2 1.4521700 -45.4891800
2 1.6547800 83.2162700
p-f potential
3
0 4.3614400 12.7375800
2 1.2545500 -49.6013700
2 1.3643900 75.5773300
d-f potential
2
0 5.8989700 17.7904100
2 1.2348500 17.2535800
CS 0
CS-ECP 3 54
f potential
1
1 0.3135600 -5.0187400
s-f potential
3
0 0.4009300 6.7962900
2 0.6520300 -12.2757100
2 0.4538400 13.7244200
p-f potential
2
0 0.6728700 12.3001800
2 0.2229000 2.9522200
d-f potential
3
0 0.4083500 1.9679300
2 0.2015400 -0.8050000
1 0.2441300 2.4709600
BA 0
BA-ECP 3 54
f potential
2
1 0.3786600 -4.8958400
1 3.1742300 -17.4720100
s-f potential
3
0 0.4068700 13.4601700
2 0.9426600 -14.3352300
2 0.4660500 8.1263400
p-f potential
2
0 1.1772700 17.0358800
2 0.2898100 4.7470600
d-f potential
2
1 1.0045000 12.7880700
1 0.1439400 -0.2867700
LA 0
LA-ECP 4 46
g potential
1
1 1.4234500 -2.8566500
s-g potential
3
0 22.2973900 8.8534700
2 1.6432000 -68.4177800
2 1.8512200 110.1246300
p-g potential
3
0 1.7763500 2.9867500
2 3.9894100 -35.5181500
2 2.4752400 53.6542300
d-g potential
2
0 1.5216900 1.6729800
2 1.5218200 18.4662500
f-g potential
2
1 2.6776200 -4.6443000
1 10.0660800 -14.4310100
CE 0
CE-ECP 3 46
f potential
2
1 9.2074800 -15.3487600
1 1.8673000 -5.8432400
s-f potential
3
2 1.8937000 -255.5623800
2 1.9791500 307.3139300
0 10.7429700 10.6699000
p-f potential
3
0 7.7559300 12.2292100
2 1.8156400 124.9424700
2 1.6716500 -84.5999900
d-f potential
2
2 1.7064200 24.9446800
0 6.4893400 10.2861400
HF 0
HF-ECP 4 60
g potential
1
1 1.1409000 -2.5902000
s-g potential
3
0 18.9821000 5.0860200
2 3.9241300 -76.3464600
2 4.3200200 154.1261600
p-g potential
3
0 1.1100800 3.8026300
2 2.3892000 -133.1277200
2 2.5817100 159.3948800
d-g potential
2
0 21.0000000 5.2348600
2 2.8048700 30.0985100
f-g potential
1
0 1.1137700 11.0370000
TA 0
TA-ECP 4 60
g potential
1
1 1.6526200 -4.3344000
s-g potential
3
0 3.7845000 4.2402200
2 3.1783800 -30.3823100
2 3.9505800 89.3281100
p-g potential
3
0 1.0058000 3.3386800
2 2.3539000 -138.0217300
2 2.5819100 171.5334900
d-g potential
2
0 24.2912900 3.0491300
2 3.1860400 41.2051500
f-g potential
1
0 1.1301100 7.8463400
W 0
W-ECP 4 60
g potential
1
1 2.0382800 -5.2648000
s-g potential
3
0 0.9651400 2.4729900
2 2.6550200 -52.0717800
2 3.6271300 113.4674500
p-g potential
3
0 1.2390200 3.9108500
2 2.5412200 -135.3160700
2 2.8079700 172.3697600
d-g potential
2
0 27.5593500 3.8734900
2 3.5197300 49.5251100
f-g potential
1
0 1.2056100 6.9947100
RE 0
RE-ECP 4 60
g potential
1
1 2.5173100 -6.6222500
s-g potential
3
0 1.0060300 3.3206700
2 2.5206500 -39.9186000
2 3.8655000 101.8323600
p-g potential
3
0 1.2288400 3.8373500
2 2.6503300 -121.9941600
2 3.0168600 166.1714400
d-g potential
2
0 29.2349900 4.5781900
2 3.8642200 58.7277600
f-g potential
1
0 1.2745600 6.4431500
OS 0
OS-ECP 4 60
g potential
1
1 3.0108400 -7.9675300
s-g potential
3
0 1.1700600 4.0347800
2 2.9343500 -84.7526100
2 3.8266300 148.9441000
p-g potential
3
0 1.0217800 3.1045400
2 2.6601300 -120.7011700
2 3.1043500 172.7712800
d-g potential
2
0 31.0000000 6.6350700
2 4.1795300 66.8572600
f-g potential
1
0 1.3874200 6.3312000
IR 0
IR-ECP 4 60
g potential
1
1 3.4685900 -8.9820800
s-g potential
3
0 1.2740300 4.8362900
2 3.0797000 -98.4762400
2 3.9715300 162.5817300
p-g potential
3
0 1.0834200 3.8002100
2 2.7943200 -151.6591000
2 3.2100800 203.9621600
d-g potential
2
0 33.0000000 7.9687400
2 4.4718800 73.9784400
f-g potential
1
0 1.4852400 6.2855900
PT 0
PT-ECP 4 60
g potential
1
1 3.9081300 -9.7985400
s-g potential
3
0 1.3627900 5.7984300
2 3.3422700 -187.5159400
2 3.9113600 247.9690600
p-g potential
3
0 1.0758600 3.6705500
2 2.8044300 -93.0205500
2 3.5249100 151.5591500
d-g potential
2
0 42.6311600 13.0935300
2 4.7446800 80.2938500
f-g potential
1
0 1.5898800 6.1387000
AU 0
AU-ECP 4 60
g potential
1
1 4.3876300 -10.7235800
s-g potential
3
0 1.5563600 6.3561200
2 3.7159300 -364.4403900
2 4.0679200 428.1975300
p-g potential
3
0 1.1879800 4.4151800
2 3.0155100 -136.5755000
2 3.5958800 194.2053500
d-g potential
2
0 35.2500000 8.8819800
2 5.0230700 86.7661200
f-g potential
1
0 1.6888100 6.2160300
HG 0
HG-ECP 4 60
g potential
1
1 4.8576400 -11.5161800
s-g potential
3
0 1.1735700 4.0954700
2 3.7096600 -310.0889800
2 4.1879300 394.6873500
p-g potential
3
0 0.9591300 3.6120200
2 2.9926800 -148.4285000
2 3.5835300 211.8316100
d-g potential
2
0 35.5466500 8.2707400
2 5.2931800 92.8567800
f-g potential
1
0 1.8097800 6.2830200
TL 0
TL-ECP 4 60
g potential
1
1 5.3129400 -12.1378700
s-g potential
3
0 1.2956600 4.7783300
2 3.8066500 -253.1959200
2 4.4323300 337.0534900
p-g potential
3
0 0.9478200 3.4591200
2 3.1437800 -168.9409100
2 3.7356200 238.1090100
d-g potential
2
0 33.4308000 7.4113700
2 5.5517400 98.4988300
f-g potential
1
0 1.9138500 6.2760600
PB 0
PB-ECP 4 78
g potential
1
1 0.5175600 -2.7646400
s-g potential
3
0 2.4436300 6.9477400
2 0.8202200 -17.7210600
2 0.9766200 32.3956400
p-g potential
3
0 1.4904100 4.9461900
2 0.5986100 -17.1603300
2 0.6691600 26.0604000
d-g potential
2
0 2.1920300 4.9976200
2 0.4693700 4.5273000
f-g potential
3
0 0.6908100 4.9582700
2 0.2068000 -124.1575800
2 0.2077300 125.3279800
BI 0
BI-ECP 4 78
g potential
1
1 0.7794100 -5.3499100
s-g potential
3
0 0.5808200 5.9122400
2 0.8648000 -46.5235400
2 0.9568200 58.3067300
p-g potential
3
0 2.4186000 7.5877200
2 0.5122900 -1.5513300
2 0.9842900 17.6506200
d-g potential
2
0 4.1021200 8.2093500
2 0.6305200 8.3897000
f-g potential
3
0 0.5710800 -31.2248100
0 1.1764300 31.9991800
2 0.7883200 16.8228700
PO 0
PO-ECP 4 78
g potential
1
1 0.9823600 -6.9142600
s-g potential
3
0 0.3938800 5.3876500
2 0.8440500 -41.3598700
2 0.9960100 55.7173500
p-g potential
3
0 4.8787700 11.8444900
2 0.8434700 -2.2984800
2 1.2654400 27.8543100
d-g potential
2
0 2.5280300 9.5126100
2 0.7586400 11.3802900
f-g potential
3
0 0.4492300 -32.3272700
0 0.7131700 33.5754000
2 0.5624900 7.8921300
AT 0
AT-ECP 4 78
g potential
1
1 1.1814200 -8.2282100
s-g potential
3
0 0.4927600 6.6530200
2 0.8542100 -15.9865400
2 1.2755500 33.1006000
p-g potential
3
0 3.3738100 10.7314700
2 0.9372800 -128.8272900
2 0.9748800 150.8082100
d-g potential
2
0 3.8863800 15.8316600
2 0.8767900 14.5515000
f-g potential
2
0 1.1228400 4.2709700
2 1.1553000 -3.3950000
RN 0
RN-ECP 4 78
g potential
1
1 1.3792000 -9.3699100
s-g potential
3
0 0.4716900 5.2564400
2 1.0126800 -39.2759800
2 1.2695200 62.1928700
p-g potential
3
0 3.3253400 7.3863100
2 0.9995000 -45.6783000
2 1.1162000 71.8138500
d-g potential
2
0 0.9221400 4.9048400
2 0.9222100 12.6159800
f-g potential
2
0 1.6173500 2.9692400
2 0.3215000 -0.1784400