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QuAcK/basis/lanl2dz_ecp
2020-01-17 13:57:03 +01:00

1508 lines
48 KiB
Plaintext

HYDROGEN
S 3
1 19.2384000 0.0328280
2 2.8987000 0.2312040
3 0.6535000 0.8172260
S 1
1 0.1776000 1.0000000
LITHIUM
S 7
1 921.3000000 0.0013670
2 138.7000000 0.0104250
3 31.9400000 0.0498590
4 9.3530000 0.1607010
5 3.1580000 0.3446040
6 1.1570000 0.4251970
7 0.4446000 0.1694680
S 2
1 0.4446000 -0.2223110
2 0.0766600 1.1164770
S 1
1 0.0286400 1.0000000
P 3
1 1.4880000 0.0387700
2 0.2667000 0.2362570
3 0.0720100 0.8304480
P 1
1 0.0237000 1.0000000
BERYLLIUM
S 7
1 1741.0000000 0.0013050
2 262.1000000 0.0099550
3 60.3300000 0.0480310
4 17.6200000 0.1585770
5 5.9330000 0.3513250
6 2.1850000 0.4270060
7 0.8590000 0.1604900
S 2
1 2.1850000 -0.1852940
2 0.1806000 1.0570140
S 1
1 0.0583500 1.0000000
P 4
1 6.7100000 0.0163780
2 1.4420000 0.0915530
3 0.4103000 0.3414690
4 0.1397000 0.6854280
P 1
1 0.0492200 1.0000000
BORON
S 7
1 2788.0000000 0.0012880
2 419.0000000 0.0098350
3 96.4700000 0.0476480
4 28.0700000 0.1600690
5 9.3760000 0.3628940
6 3.4060000 0.4335820
7 1.3060000 0.1400820
S 2
1 3.4060000 -0.1793300
2 0.3245000 1.0625940
S 1
1 0.1022000 1.0000000
P 4
1 11.3400000 0.0179880
2 2.4360000 0.1103430
3 0.6836000 0.3830720
4 0.2134000 0.6478950
P 1
1 0.0701100 1.0000000
CARBON
S 7
1 4233.0000000 0.0012200
2 634.9000000 0.0093420
3 146.1000000 0.0454520
4 42.5000000 0.1546570
5 14.1900000 0.3588660
6 5.1480000 0.4386320
7 1.9670000 0.1459180
S 2
1 5.1480000 -0.1683670
2 0.4962000 1.0600910
S 1
1 0.1533000 1.0000000
P 4
1 18.1600000 0.0185390
2 3.9860000 0.1154360
3 1.1430000 0.3861880
4 0.3594000 0.6401140
P 1
1 0.1146000 1.0000000
NITROGEN
S 7
1 5909.0000000 0.0011900
2 887.5000000 0.0090990
3 204.7000000 0.0441450
4 59.8400000 0.1504640
5 20.0000000 0.3567410
6 7.1930000 0.4465330
7 2.6860000 0.1456030
S 2
1 7.1930000 -0.1604050
2 0.7000000 1.0582150
S 1
1 0.2133000 1.0000000
P 4
1 26.7900000 0.0182540
2 5.9560000 0.1164610
3 1.7070000 0.3901780
4 0.5314000 0.6371020
P 1
1 0.1654000 1.0000000
OXYGEN
S 7
1 7817.0000000 0.0011760
2 1176.0000000 0.0089680
3 273.2000000 0.0428680
4 81.1700000 0.1439300
5 27.1800000 0.3556300
6 9.5320000 0.4612480
7 3.4140000 0.1402060
S 2
1 9.5320000 -0.1541530
2 0.9398000 1.0569140
S 1
1 0.2846000 1.0000000
P 4
1 35.1800000 0.0195800
2 7.9040000 0.1242000
3 2.3050000 0.3947140
4 0.7171000 0.6273760
P 1
1 0.2137000 1.0000000
FLUORINE
S 7
1 9995.0000000 0.0011600
2 1506.0000000 0.0088700
3 350.3000000 0.0423800
4 104.1000000 0.1429290
5 34.8400000 0.3553720
6 12.2200000 0.4620850
7 4.3690000 0.1408480
S 2
1 12.2200000 -0.1484520
2 1.2080000 1.0552700
S 1
1 0.3634000 1.0000000
P 4
1 44.3600000 0.0208760
2 10.0800000 0.1301070
3 2.9960000 0.3961660
4 0.9383000 0.6204040
P 1
1 0.2733000 1.0000000
NEON
S 7
1 12100.0000000 0.0012000
2 1821.0000000 0.0090920
3 432.8000000 0.0413050
4 132.5000000 0.1378670
5 43.7700000 0.3624330
6 14.9100000 0.4722470
7 5.1270000 0.1300350
S 2
1 14.9100000 -0.1408100
2 1.4910000 1.0533270
S 1
1 0.4468000 1.0000000
P 4
1 56.4500000 0.0208750
2 12.9200000 0.1300320
3 3.8650000 0.3956790
4 1.2030000 0.6214500
P 1
1 0.3444000 1.0000000
SODIUM
S 2
1 0.4972000 -0.2753574
2 0.0560000 1.0989969
S 1
1 0.0221000 1.0000000
P 2
1 0.6697000 -0.0683845
2 0.0636000 1.0140550
P 1
1 0.0204000 1.0000000
MAGNESIUM
S 2
1 0.7250000 -0.4058454
2 0.1112000 1.1688704
S 1
1 0.0404000 1.0000000
P 2
1 1.2400000 -0.0749753
2 0.1346000 1.0178183
P 1
1 0.0422000 1.0000000
ALUMINUM
S 2
1 0.9615000 -0.5021546
2 0.1819000 1.2342547
S 1
1 0.0657000 1.0000000
P 2
1 1.9280000 -0.0712584
2 0.2013000 1.0162966
P 1
1 0.0580000 1.0000000
SILICON
S 2
1 1.2220000 -0.5707339
2 0.2595000 1.2823826
S 1
1 0.0931000 1.0000000
P 2
1 2.5800000 -0.0777250
2 0.2984000 1.0197870
P 1
1 0.0885000 1.0000000
PHOSPHORUS
S 2
1 1.5160000 -0.5862089
2 0.3369000 1.2994376
S 1
1 0.1211000 1.0000000
P 2
1 3.7050000 -0.0691472
2 0.3934000 1.0161988
P 1
1 0.1190000 1.0000000
SULFUR
S 2
1 1.8500000 -0.5324335
2 0.4035000 1.2763801
S 1
1 0.1438000 1.0000000
P 2
1 4.9450000 -0.0608116
2 0.4870000 1.0132686
P 1
1 0.1379000 1.0000000
CHLORINE
S 2
1 2.2310000 -0.4900589
2 0.4720000 1.2542684
S 1
1 0.1631000 1.0000000
P 2
1 6.2960000 -0.0635641
2 0.6333000 1.0141355
P 1
1 0.1819000 1.0000000
ARGON
S 2
1 2.6130000 -0.5110463
2 0.5736000 1.2701236
S 1
1 0.2014000 1.0000000
P 2
1 7.8600000 -0.0555167
2 0.7387000 1.0115982
P 1
1 0.2081000 1.0000000
POTASSIUM
S 3
1 3.0720000 -0.3083067
2 0.6752000 0.7820711
3 0.2545000 0.4142883
S 4
1 3.0720000 0.1894087
2 0.6752000 -0.5472332
3 0.2545000 -0.7576458
4 0.0529000 0.9952157
S 1
1 0.0209000 1.0000000
P 3
1 8.2330000 -0.0419919
2 0.9526000 0.5776819
3 0.3013000 0.5234611
P 1
1 0.0376000 1.0000000
P 1
1 0.0140000 1.0000000
CALCIUM
S 3
1 3.4840000 -0.3337370
2 0.8551000 0.7589831
3 0.3192000 0.4606109
S 4
1 3.4840000 0.2606030
2 0.8551000 -0.6839150
3 0.3192000 -1.1987807
4 0.1447000 1.0251221
S 1
1 0.0350000 1.0000000
P 3
1 9.4200000 -0.0436943
2 1.1500000 0.6034747
3 0.3688000 0.4961107
P 1
1 0.0705000 1.0000000
P 1
1 0.0263000 1.0000000
SCANDIUM
S 3
1 3.7170000 -0.3926292
2 1.0970000 0.7147339
3 0.4164000 0.5509400
S 4
1 3.7170000 0.2197446
2 1.0970000 -0.4546067
3 0.4164000 -0.6938181
4 0.0761000 1.1260172
S 1
1 0.0284000 1.0000000
P 3
1 10.4000000 -0.0492615
2 1.3110000 0.6071965
3 0.4266000 0.4917582
P 1
1 0.0470000 1.0000000
P 1
1 0.0140000 1.0000000
D 4
1 15.1300000 0.0379291
2 4.2050000 0.1738360
3 1.3030000 0.4268057
4 0.3680000 0.6238539
D 1
1 0.0812000 1.0000000
TITANIUM
S 3
1 4.3720000 -0.3637098
2 1.0980000 0.8184533
3 0.4178000 0.4184526
S 4
1 4.3720000 0.2049027
2 1.0980000 -0.5575413
3 0.4178000 -0.5893652
4 0.0872000 1.1451661
S 1
1 0.0314000 1.0000000
P 3
1 12.5200000 -0.0456908
2 1.4910000 0.6203313
3 0.4859000 0.4765329
P 1
1 0.0530000 1.0000000
P 1
1 0.0160000 1.0000000
D 4
1 20.2100000 0.0341682
2 5.4950000 0.1710006
3 1.6990000 0.4405849
4 0.4840000 0.6114246
D 1
1 0.1157000 1.0000000
VANADIUM
S 3
1 4.5900000 -0.4277302
2 1.4930000 0.7069691
3 0.5570000 0.5895813
S 4
1 4.5900000 0.2501081
2 1.4930000 -0.4697777
3 0.5570000 -0.7129415
4 0.0975000 1.1006569
S 1
1 0.0342000 1.0000000
P 3
1 13.7600000 -0.0482312
2 1.7120000 0.6141161
3 0.5587000 0.4838342
P 1
1 0.0590000 1.0000000
P 1
1 0.0180000 1.0000000
D 4
1 25.7000000 0.0331033
2 6.5300000 0.1795753
3 2.0780000 0.4373062
4 0.6243000 0.5984860
D 1
1 0.1542000 1.0000000
CHROMIUM
S 3
1 5.3610000 -0.3805689
2 1.4490000 0.7795625
3 0.5496000 0.4730777
S 4
1 5.3610000 0.2203111
2 1.4490000 -0.5423391
3 0.5496000 -0.6047716
4 0.1052000 1.1136657
S 1
1 0.0364000 1.0000000
P 3
1 16.4200000 -0.0461397
2 1.9140000 0.6109965
3 0.6241000 0.4859635
P 1
1 0.0630000 1.0000000
P 1
1 0.0190000 1.0000000
D 4
1 28.9500000 0.0337787
2 7.7080000 0.1780345
3 2.4950000 0.4370008
4 0.7655000 0.5941795
D 1
1 0.1889000 1.0000000
MANGANESE
S 3
1 5.9140000 -0.3764508
2 1.6050000 0.7724789
3 0.6260000 0.4769346
S 4
1 5.9140000 0.2119966
2 1.6050000 -0.5199472
3 0.6260000 -0.5857681
4 0.1115000 1.1003964
S 1
1 0.0380000 1.0000000
P 3
1 18.2000000 -0.0447901
2 2.1410000 0.6260311
3 0.7009000 0.4696329
P 1
1 0.0690000 1.0000000
P 1
1 0.0210000 1.0000000
D 4
1 32.2700000 0.0341580
2 8.8750000 0.1761105
3 2.8900000 0.4394298
4 0.8761000 0.5943271
D 1
1 0.2120000 1.0000000
IRON
S 3
1 6.4220000 -0.3927882
2 1.8260000 0.7712643
3 0.7135000 0.4920228
S 4
1 6.4220000 0.1786877
2 1.8260000 -0.4194032
3 0.7135000 -0.4568185
4 0.1021000 1.1035048
S 1
1 0.0363000 1.0000000
P 3
1 19.4800000 -0.0470282
2 2.3890000 0.6248841
3 0.7795000 0.4722542
P 1
1 0.0740000 1.0000000
P 1
1 0.0220000 1.0000000
D 4
1 37.0800000 0.0329000
2 10.1000000 0.1787418
3 3.2200000 0.4487657
4 0.9628000 0.5876361
D 1
1 0.2262000 1.0000000
COBALT
S 3
1 7.1760000 -0.3856734
2 2.0090000 0.7453116
3 0.8055000 0.5091819
S 4
1 7.1760000 0.1736161
2 2.0090000 -0.3970442
3 0.8055000 -0.4630622
4 0.1070000 1.0899654
S 1
1 0.0375000 1.0000000
P 3
1 21.3900000 -0.0480413
2 2.6500000 0.6222337
3 0.8619000 0.4758042
P 1
1 0.0800000 1.0000000
P 1
1 0.0230000 1.0000000
D 4
1 39.2500000 0.0361541
2 10.7800000 0.1896744
3 3.4960000 0.4524981
4 1.0660000 0.5710427
D 1
1 0.2606000 1.0000000
NICKEL
S 3
1 7.6200000 -0.4082550
2 2.2940000 0.7455308
3 0.8760000 0.5325721
S 4
1 7.6200000 0.1872591
2 2.2940000 -0.3966964
3 0.8760000 -0.4954003
4 0.1153000 1.0844343
S 1
1 0.0396000 1.0000000
P 3
1 23.6600000 -0.0481558
2 2.8930000 0.6258473
3 0.9435000 0.4715158
P 1
1 0.0840000 1.0000000
P 1
1 0.0240000 1.0000000
D 4
1 42.7200000 0.0372699
2 11.7600000 0.1956103
3 3.8170000 0.4561273
4 1.1690000 0.5621587
D 1
1 0.2836000 1.0000000
COPPER
S 3
1 8.1760000 -0.4210260
2 2.5680000 0.7385924
3 0.9587000 0.5525692
S 4
1 8.1760000 0.1787665
2 2.5680000 -0.3592273
3 0.9587000 -0.4704825
4 0.1153000 1.0807407
S 1
1 0.0396000 1.0000000
P 3
1 25.6300000 -0.0489173
2 3.1660000 0.6272854
3 1.0230000 0.4716188
P 1
1 0.0860000 1.0000000
P 1
1 0.0240000 1.0000000
D 4
1 41.3400000 0.0465424
2 11.4200000 0.2227824
3 3.8390000 0.4539059
4 1.2300000 0.5314769
D 1
1 0.3102000 1.0000000
ZINC
S 2
1 0.7997000 -0.6486112
2 0.1752000 1.3138291
S 1
1 0.0556000 1.0000000
P 1
1 0.1202000 1.0000000
P 1
1 0.0351000 1.0000000
D 4
1 68.8500000 0.0258532
2 18.3200000 0.1651195
3 5.9220000 0.4468212
4 1.9270000 0.5831080
D 1
1 0.5528000 1.0000000
GALLIUM
S 2
1 0.8306000 -1.6759436
2 0.3392000 1.9877108
S 1
1 0.0918000 1.0000000
P 2
1 1.6750000 -0.0856107
2 0.2030000 1.0226850
P 1
1 0.0579000 1.0000000
GERMANIUM
S 2
1 0.8935000 -2.1756591
2 0.4424000 2.4493467
S 1
1 0.1162000 1.0000000
P 2
1 1.8770000 -0.1006779
2 0.2623000 1.0306256
P 1
1 0.0798000 1.0000000
ARSENIC
S 2
1 0.9635000 -2.6709549
2 0.5427000 2.9387892
S 1
1 0.1407000 1.0000000
P 2
1 2.0840000 -0.1137100
2 0.3224000 1.0380266
P 1
1 0.1020000 1.0000000
SELENIUM
S 2
1 1.0330000 -3.3224095
2 0.6521000 3.6003462
S 1
1 0.1660000 1.0000000
P 2
1 2.3660000 -0.1185522
2 0.3833000 1.0414320
P 1
1 0.1186000 1.0000000
BROMINE
S 2
1 1.1590000 -3.0378769
2 0.7107000 3.3703735
S 1
1 0.1905000 1.0000000
P 2
1 2.6910000 -0.1189800
2 0.4446000 1.0424471
P 1
1 0.1377000 1.0000000
KRYPTON
S 2
1 1.2270000 -4.0317198
2 0.8457000 4.3554125
S 1
1 0.2167000 1.0000000
P 2
1 2.9200000 -0.1330685
2 0.5169000 1.0502807
P 1
1 0.1614000 1.0000000
RUBIDIUM
S 3
1 1.4570000 -1.0617406
2 0.9400000 1.1722125
3 0.2706000 0.7437008
S 4
1 1.4570000 0.5052174
2 0.9400000 -0.5718404
3 0.2706000 -0.6835308
4 0.0366000 1.1136477
S 1
1 0.0155000 1.0000000
P 3
1 3.3000000 -0.0729417
2 0.5985000 0.6321782
3 0.2067000 0.4707426
P 2
1 0.1947000 -0.1250552
2 0.0318000 1.0438206
P 1
1 0.0124000 1.0000000
STRONTIUM
S 3
1 1.6480000 -0.9519879
2 1.0030000 1.0869857
3 0.3106000 0.7203160
S 4
1 1.6480000 0.7914337
2 1.0030000 -0.9434046
3 0.3106000 -1.3043063
4 0.1099000 0.9046869
S 1
1 0.0292000 1.0000000
P 3
1 3.5520000 -0.0886461
2 0.6975000 0.6661857
3 0.2480000 0.4390705
P 2
1 0.2735000 -0.1787470
2 0.0570000 1.0766134
P 1
1 0.0222000 1.0000000
YTTRIUM
S 3
1 1.7510000 -1.1617905
2 1.1430000 1.2958877
3 0.3581000 0.7115125
S 4
1 1.7510000 0.9683123
2 1.1430000 -1.1346367
3 0.3581000 -1.1914054
4 0.1058000 0.9281063
S 1
1 0.0318000 1.0000000
P 3
1 3.8840000 -0.0820601
2 0.7660000 0.6756413
3 0.2890000 0.4195482
P 2
1 0.2896000 -0.1501080
2 0.0629000 1.0686926
P 1
1 0.0223000 1.0000000
D 3
1 1.5230000 0.1074843
2 0.5634000 0.4563954
3 0.1834000 0.6039855
D 1
1 0.0569000 1.0000000
ZIRCONIUM
S 3
1 1.9760000 -0.9206745
2 1.1540000 1.0929033
3 0.3910000 0.6795621
S 4
1 1.9760000 0.7506060
2 1.1540000 -0.9810826
3 0.3910000 -1.0225151
4 0.1001000 1.0860038
S 1
1 0.0334000 1.0000000
P 3
1 4.1920000 -0.0942554
2 0.8764000 0.6783675
3 0.3263000 0.4246618
P 2
1 0.2972000 -0.1527401
2 0.0724000 1.0777185
P 1
1 0.0243000 1.0000000
D 3
1 2.2690000 0.0599741
2 0.7855000 0.4734158
3 0.2615000 0.6117178
D 1
1 0.0802000 1.0000000
NIOBIUM
S 3
1 2.1820000 -0.8846144
2 1.2090000 1.1033775
3 0.4165000 0.6298776
S 4
1 2.1820000 0.7790287
2 1.2090000 -1.0752788
3 0.4165000 -1.1506014
4 0.1454000 0.9969155
S 1
1 0.0392000 1.0000000
P 3
1 4.5190000 -0.0817303
2 0.9406000 0.6995115
3 0.3492000 0.3980996
P 2
1 0.4106000 -0.1212176
2 0.0752000 1.0480477
P 1
1 0.0247000 1.0000000
D 3
1 3.4660000 0.0315983
2 0.9938000 0.4834306
3 0.3350000 0.6164893
D 1
1 0.1024000 1.0000000
MOLYBDENUM
S 3
1 2.3610000 -0.9121760
2 1.3090000 1.1477453
3 0.4500000 0.6097109
S 4
1 2.3610000 0.8139259
2 1.3090000 -1.1360084
3 0.4500000 -1.1611592
4 0.1681000 1.0064786
S 1
1 0.0423000 1.0000000
P 3
1 4.8950000 -0.0908258
2 1.0440000 0.7042899
3 0.3877000 0.3973179
P 2
1 0.4995000 -0.1081945
2 0.0780000 1.0368093
P 1
1 0.0247000 1.0000000
D 3
1 2.9930000 0.0527063
2 1.0630000 0.5003907
3 0.3721000 0.5794024
D 1
1 0.1178000 1.0000000
TECHNETIUM
S 3
1 2.3420000 -1.4911782
2 1.6340000 1.6749043
3 0.5094000 0.6573006
S 4
1 2.3420000 1.3523997
2 1.6340000 -1.6216301
3 0.5094000 -1.1463770
4 0.1706000 0.9859190
S 1
1 0.0435000 1.0000000
P 3
1 5.2780000 -0.0995419
2 1.1560000 0.7081544
3 0.4302000 0.3973571
P 2
1 0.4767000 -0.0973127
2 0.0895000 1.0404862
P 1
1 0.0246000 1.0000000
D 3
1 4.6320000 0.0268724
2 1.2790000 0.5073089
3 0.4425000 0.5911381
D 1
1 0.1364000 1.0000000
RUTHENIUM
S 3
1 2.5650000 -1.0431056
2 1.5080000 1.3314786
3 0.5129000 0.5613065
S 4
1 2.5650000 0.8770128
2 1.5080000 -1.2634660
3 0.5129000 -0.8384987
4 0.1362000 1.0637773
S 1
1 0.0417000 1.0000000
P 3
1 4.8590000 -0.0945755
2 1.2190000 0.7434798
3 0.4413000 0.3668144
P 2
1 0.5725000 -0.0880864
2 0.0830000 1.0283970
P 1
1 0.0250000 1.0000000
D 3
1 4.1950000 0.0485729
2 1.3770000 0.5105223
3 0.4828000 0.5730028
D 1
1 0.1501000 1.0000000
RHODIUM
S 3
1 2.6460000 -1.3554084
2 1.7510000 1.6112233
3 0.5713000 0.5893814
S 4
1 2.6460000 1.1472137
2 1.7510000 -1.4943525
3 0.5713000 -0.8589704
4 0.1438000 1.0297241
S 1
1 0.0428000 1.0000000
P 3
1 5.4400000 -0.0987699
2 1.3290000 0.7433595
3 0.4845000 0.3668462
P 2
1 0.6595000 -0.0838056
2 0.0869000 1.0244841
P 1
1 0.0257000 1.0000000
D 3
1 3.6690000 0.0760059
2 1.4230000 0.5158852
3 0.5091000 0.5436585
D 1
1 0.1610000 1.0000000
PALLADIUM
S 3
1 2.7870000 -1.6102393
2 1.9650000 1.8489842
3 0.6243000 0.6037492
S 4
1 2.7870000 1.3540775
2 1.9650000 -1.6780848
3 0.6243000 -0.8559381
4 0.1496000 1.0200299
S 1
1 0.0436000 1.0000000
P 3
1 5.9990000 -0.1034910
2 1.4430000 0.7456952
3 0.5264000 0.3656494
P 2
1 0.7368000 0.0763285
2 0.0899000 0.9740065
P 1
1 0.0262000 1.0000000
D 3
1 6.0910000 0.0376146
2 1.7190000 0.5200479
3 0.6056000 0.5706071
D 1
1 0.1883000 1.0000000
SILVER
S 3
1 2.9500000 -1.7910564
2 2.1490000 2.0244570
3 0.6684000 0.6072839
S 4
1 2.9500000 1.0141125
2 2.1490000 -1.2413971
3 0.6684000 -0.4901427
4 0.0997000 1.1128375
S 1
1 0.0347000 1.0000000
P 3
1 6.5530000 -0.1079117
2 1.5650000 0.7403645
3 0.5748000 0.3721008
P 2
1 0.9085000 -0.0418371
2 0.0833000 1.0087586
P 1
1 0.0252000 1.0000000
D 3
1 3.3910000 0.1396938
2 1.5990000 0.4744421
3 0.6282000 0.5156311
D 1
1 0.2108000 1.0000000
CADMIUM
S 2
1 0.5095000 -1.2713002
2 0.1924000 1.8002112
S 1
1 0.0544000 1.0000000
P 2
1 0.8270000 -0.1083020
2 0.1287000 1.0367049
P 1
1 0.0405000 1.0000000
D 3
1 5.1480000 0.0703071
2 1.9660000 0.5138427
3 0.7360000 0.5416758
D 1
1 0.2479000 1.0000000
INDIUM
S 2
1 0.4915000 -4.2418681
2 0.3404000 4.4784826
S 1
1 0.0774000 1.0000000
P 2
1 0.9755000 -0.1226473
2 0.1550000 1.0417571
P 1
1 0.0474000 1.0000000
TIN
S 2
1 0.5418000 -4.2089644
2 0.3784000 4.5198368
S 1
1 0.0926000 1.0000000
P 2
1 1.0470000 -0.1417678
2 0.1932000 1.0554488
P 1
1 0.0630000 1.0000000
ANTIMONY
S 2
1 0.5863000 -4.7537662
2 0.4293000 5.1096593
S 1
1 0.1078000 1.0000000
P 2
1 1.1110000 -0.1811707
2 0.2365000 1.0791649
P 1
1 0.0800000 1.0000000
TELLURIUM
S 2
1 0.6938000 -2.4115013
2 0.4038000 2.9179976
S 1
1 0.1165000 1.0000000
P 2
1 1.2310000 -0.1923340
2 0.2756000 1.0876382
P 1
1 0.0911000 1.0000000
IODINE
S 2
1 0.7242000 -2.9731048
2 0.4653000 3.4827643
S 1
1 0.1336000 1.0000000
P 2
1 1.2900000 -0.2092377
2 0.3180000 1.1035347
P 1
1 0.1053000 1.0000000
XENON
S 2
1 0.7646000 -3.6543172
2 0.5322000 4.1674919
S 1
1 0.1491000 1.0000000
P 2
1 1.2110000 -0.2616924
2 0.3808000 1.1570355
P 1
1 0.1259000 1.0000000
CESIUM
S 3
1 0.8709000 -1.1604798
2 0.5393000 1.4198515
3 0.1724000 0.5872905
S 4
1 0.8709000 0.8237727
2 0.5393000 -1.0709181
3 0.1724000 -0.9085122
4 0.0393000 1.0774049
S 1
1 0.0151000 1.0000000
P 3
1 1.4680000 -0.1321033
2 0.4134000 0.6572410
3 0.1536000 0.4756456
P 2
1 0.1458000 -0.1680556
2 0.0279000 1.0665746
P 1
1 0.0113000 1.0000000
BARIUM
S 3
1 0.8699000 -2.2549747
2 0.6676000 2.5145786
3 0.1982000 0.5775184
S 4
1 0.8699000 2.0391383
2 0.6676000 -2.3717712
3 0.1982000 -1.2758006
4 0.0823000 1.1703346
S 1
1 0.0231000 1.0000000
P 3
1 1.6050000 -0.1626403
2 0.4790000 0.6971289
3 0.1818000 0.4505107
P 2
1 0.1804000 -0.2642537
2 0.0476000 1.1347212
P 1
1 0.0192000 1.0000000
LANTHANUM
S 3
1 0.9167000 -3.0240751
2 0.7427000 3.2971476
3 0.2237000 0.5513542
S 4
1 0.9167000 2.6910243
2 0.7427000 -3.0474363
3 0.2237000 -1.1030211
4 0.0792000 1.1941863
S 1
1 0.0239000 1.0000000
P 3
1 1.5540000 -0.1817168
2 0.5622000 0.6632226
3 0.2239000 0.5029782
P 2
1 0.2125000 -0.1968810
2 0.0483000 1.0907542
P 1
1 0.0179000 1.0000000
D 2
1 0.4524000 0.4468051
2 0.1602000 0.6543493
D 1
1 0.0531000 1.0000000
HAFNIUM
S 3
1 1.9500000 -1.2260850
2 1.1830000 1.5695074
3 0.3897000 0.4933412
S 4
1 1.9500000 1.0778382
2 1.1830000 -1.5010862
3 0.3897000 -1.1982175
4 0.1656000 1.2290296
S 1
1 0.0424000 1.0000000
P 3
1 1.9720000 -0.6323467
2 1.3540000 1.0465162
3 0.4134000 0.5801670
P 2
1 0.3427000 -0.1739178
2 0.0804000 1.0841644
P 1
1 0.0274000 1.0000000
D 2
1 0.8226000 0.4490405
2 0.2585000 0.6723891
D 1
1 0.0762000 1.0000000
TANTALUM
S 3
1 2.0440000 -1.3104779
2 1.2670000 1.6579925
3 0.4157000 0.4848337
S 4
1 2.0440000 1.1897315
2 1.2670000 -1.6650462
3 0.4157000 -1.0563335
4 0.1671000 1.1840652
S 1
1 0.0482000 1.0000000
P 3
1 2.5650000 -0.2917238
2 1.2290000 0.7570649
3 0.4244000 0.5240081
P 2
1 0.4360000 -0.1513014
2 0.0840000 1.0613123
P 1
1 0.0280000 1.0000000
D 2
1 0.8948000 0.4731072
2 0.2989000 0.6399200
D 1
1 0.0935000 1.0000000
TUNGSTEN
S 3
1 2.1370000 -1.3916151
2 1.3470000 1.7510261
3 0.4366000 0.4694647
S 4
1 2.1370000 1.2985088
2 1.3470000 -1.8102429
3 0.4366000 -1.0844531
4 0.1883000 1.2580618
S 1
1 0.0518000 1.0000000
P 3
1 3.0050000 -0.2405563
2 1.2280000 0.7364092
3 0.4415000 0.4881487
P 2
1 0.4010000 -0.1497499
2 0.0900000 1.0707463
P 1
1 0.0280000 1.0000000
D 2
1 0.9519000 0.4985265
2 0.3270000 0.6111110
D 1
1 0.1054000 1.0000000
RHENIUM
S 3
1 2.1850000 -1.6223730
2 1.4510000 1.9938647
3 0.4585000 0.4531166
S 4
1 2.1850000 1.5459752
2 1.4510000 -2.0758927
3 0.4585000 -1.1922396
4 0.2314000 1.2272864
S 1
1 0.0566000 1.0000000
P 3
1 3.3580000 -0.2318667
2 1.2710000 0.7458683
3 0.4644000 0.4632686
P 2
1 0.4960000 -0.1311370
2 0.0890000 1.0503671
P 1
1 0.0280000 1.0000000
D 2
1 1.1160000 0.4689888
2 0.4267000 0.6209591
D 1
1 0.1378000 1.0000000
OSMIUM
S 3
1 2.2220000 -1.6538036
2 1.4960000 2.0670297
3 0.4774000 0.4232017
S 4
1 2.2220000 1.6046968
2 1.4960000 -2.2120386
3 0.4774000 -1.1301209
4 0.2437000 1.2654553
S 1
1 0.0583000 1.0000000
P 3
1 2.5180000 -0.4177345
2 1.4600000 0.9434947
3 0.4923000 0.4672976
P 2
1 0.5100000 -0.1490279
2 0.0980000 1.0603616
P 1
1 0.0290000 1.0000000
D 2
1 1.1830000 0.4838470
2 0.4492000 0.6079573
D 1
1 0.1463000 1.0000000
IRIDIUM
S 3
1 2.3500000 -1.6784642
2 1.5820000 2.0952553
3 0.5018000 0.4162934
S 4
1 2.3500000 1.6464467
2 1.5820000 -2.2748150
3 0.5018000 -1.0494357
4 0.2500000 1.2167791
S 1
1 0.0598000 1.0000000
P 3
1 2.7920000 -0.3889212
2 1.5410000 0.9077516
3 0.5285000 0.4691443
P 2
1 0.5100000 -0.1170669
2 0.0980000 1.0489002
P 1
1 0.0290000 1.0000000
D 2
1 1.2400000 0.5087022
2 0.4647000 0.5862102
D 1
1 0.1529000 1.0000000
PLATINUM
S 3
1 2.5470000 -1.4739175
2 1.6140000 1.9115719
3 0.5167000 0.3922319
S 4
1 2.5470000 1.4388166
2 1.6140000 -2.0911821
3 0.5167000 -1.0921315
4 0.2651000 1.3426596
S 1
1 0.0580000 1.0000000
P 3
1 2.9110000 -0.5247438
2 1.8360000 0.9671884
3 0.5982000 0.5438632
P 2
1 0.6048000 -0.1061438
2 0.0996000 1.0383102
P 1
1 0.0290000 1.0000000
D 2
1 1.2430000 0.5598150
2 0.4271000 0.5511090
D 1
1 0.1370000 1.0000000
GOLD
S 3
1 2.8090000 -1.2021556
2 1.5950000 1.6741578
3 0.5327000 0.3526593
S 4
1 2.8090000 1.1608481
2 1.5950000 -1.8642846
3 0.5327000 -1.0356230
4 0.2826000 1.3064399
S 1
1 0.0598000 1.0000000
P 3
1 3.6840000 -0.2802681
2 1.6660000 0.7818398
3 0.5989000 0.4804776
P 2
1 0.6838000 -0.0952078
2 0.0977000 1.0299147
P 1
1 0.0279000 1.0000000
D 2
1 1.2870000 0.5844273
2 0.4335000 0.5298161
D 1
1 0.1396000 1.0000000
MERCURY
S 2
1 0.5275000 -0.4911676
2 0.2334000 0.6044070
S 1
1 0.0686100 1.0000000
P 2
1 0.6503000 -0.0672271
2 0.1368000 0.4979023
P 1
1 0.0425600 1.0000000
D 2
1 1.4840000 0.4899927
2 0.5605000 0.4932711
D 1
1 0.1923000 1.0000000
THALLIUM
S 2
1 0.5355000 -0.8008350
2 0.3082000 0.9220130
S 1
1 0.0818300 1.0000000
P 2
1 0.7977000 -0.0690671
2 0.1498000 0.5109710
P 1
1 0.0443500 1.0000000
D 2
1 8.6550000 0.0156029
2 1.4150000 0.6226510
D 1
1 0.4442000 1.0000000
LEAD
S 2
1 0.5135000 -4.3675036
2 0.3756000 4.8504656
S 1
1 0.0944000 1.0000000
P 2
1 0.8748000 -0.1793128
2 0.1843000 1.0776505
P 1
1 0.0598000 1.0000000
BISMUTH
S 2
1 0.5744000 -3.2278875
2 0.3851000 3.7637689
S 1
1 0.1050000 1.0000000
P 2
1 0.9105000 -0.2164189
2 0.2194000 1.1041867
P 1
1 0.0745000 1.0000000
URANIUM
S 4
1 2.4440000 0.2802780
2 1.4330000 -1.3231100
3 0.6677000 1.3949990
4 0.2556000 0.4531230
S 5
1 2.4440000 -0.0837540
2 1.4330000 0.6082360
3 0.6677000 -0.8184330
4 0.2556000 -0.9057530
5 0.1200000 1.2340200
S 1
1 0.0400000 1.0000000
P 3
1 1.1380000 -0.5581500
2 0.6874000 0.9701720
3 0.2506000 0.5419030
P 4
1 1.1380000 0.2257630
2 0.6874000 -0.4204690
3 0.2506000 -0.5459030
4 0.1200000 0.7429360
P 1
1 0.0400000 1.0000000
D 1
1 0.3826000 1.0000000
D 1
1 0.1473000 1.0000000
F 2
1 4.1130000 0.2189930
2 1.6970000 0.4595390
F 2
1 0.6774000 0.4216990
2 0.2510000 0.1790660
NEPTUNIUM
S 4
1 2.3780000 0.5719500
2 1.5750000 -1.9571550
3 0.8950000 1.4731800
4 0.3180000 0.7126170
S 5
1 2.3780000 -0.2204320
2 1.5750000 0.9324950
3 0.8950000 -0.8246300
4 0.3180000 -0.9022650
5 0.1130000 1.1030570
S 1
1 0.0400000 1.0000000
P 3
1 1.3050000 -0.4680230
2 0.7210000 0.8473720
3 0.2690000 0.5628310
P 4
1 1.3050000 0.1995460
2 0.7210000 -0.3949300
3 0.2690000 -0.4360310
4 0.1000000 0.7862530
P 1
1 0.0374000 1.0000000
D 1
1 0.3960000 1.0000000
D 1
1 0.1500000 1.0000000
F 2
1 4.7910000 0.1853610
2 1.9830000 0.4568540
F 2
1 0.7890000 0.4369420
2 0.2900000 0.1981980
PLUTONIUM
S 5
1 11.5600000 -0.0364860
2 2.4870000 1.6156990
3 1.7990000 -3.6388560
4 1.1760000 2.0314710
5 0.3590000 0.8533040
S 6
1 11.5600000 0.0175310
2 2.4870000 -0.7027910
3 1.7990000 1.7339680
4 1.1760000 -1.0902960
5 0.3590000 -0.9450600
6 0.1130000 1.1062660
S 1
1 0.0400000 1.0000000
P 4
1 2.5800000 0.2005000
2 1.6220000 -0.5912260
3 0.7482000 0.7974730
4 0.2793000 0.5635550
P 5
1 2.5800000 -0.0697090
2 1.6220000 0.2196110
3 0.7482000 -0.3575470
4 0.2793000 -0.4281660
5 0.1000000 0.7932680
P 1
1 0.0370000 1.0000000
D 1
1 0.4090000 1.0000000
D 1
1 0.1520000 1.0000000
F 2
1 4.8570000 0.2066870
2 2.0310000 0.4696250
F 2
1 0.8150000 0.4212150
2 0.3020000 0.1725220