mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-13 00:43:39 +01:00
1508 lines
48 KiB
Plaintext
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
|
|
|
|
|