mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 20:34:58 +01:00
1905 lines
57 KiB
Plaintext
1905 lines
57 KiB
Plaintext
HYDROGEN
|
|
S 2
|
|
1 5.4471780 0.1562850
|
|
2 0.8245470 0.9046910
|
|
S 1
|
|
1 0.1831920 1.0000000
|
|
|
|
HELIUM
|
|
S 2
|
|
1 13.6267000 0.1752300
|
|
2 1.9993500 0.8934830
|
|
S 1
|
|
1 0.3829930 1.0000000
|
|
|
|
LITHIUM
|
|
S 3
|
|
1 36.8382000 0.0696686
|
|
2 5.4817200 0.3813460
|
|
3 1.1132700 0.6817020
|
|
S 2
|
|
1 0.5402050 -0.2631270
|
|
2 0.1022550 1.1433900
|
|
P 2
|
|
1 0.5402050 0.1615460
|
|
2 0.1022550 0.9156630
|
|
S 1
|
|
1 0.0285650 1.0000000
|
|
P 1
|
|
1 0.0285650 1.0000000
|
|
|
|
BERYLLIUM
|
|
S 3
|
|
1 71.8876000 0.0644263
|
|
2 10.7289000 0.3660960
|
|
3 2.2220500 0.6959340
|
|
S 2
|
|
1 1.2954800 -0.4210640
|
|
2 0.2688810 1.2240700
|
|
P 2
|
|
1 1.2954800 0.2051320
|
|
2 0.2688810 0.8825280
|
|
S 1
|
|
1 0.0773500 1.0000000
|
|
P 1
|
|
1 0.0773500 1.0000000
|
|
|
|
BORON
|
|
S 3
|
|
1 116.4340000 0.0629605
|
|
2 17.4314000 0.3633040
|
|
3 3.6801600 0.6972550
|
|
S 2
|
|
1 2.2818700 -0.3686620
|
|
2 0.4652480 1.1994400
|
|
P 2
|
|
1 2.2818700 0.2311520
|
|
2 0.4652480 0.8667640
|
|
S 1
|
|
1 0.1243280 1.0000000
|
|
P 1
|
|
1 0.1243280 1.0000000
|
|
|
|
CARBON
|
|
S 3
|
|
1 172.2560000 0.0617669
|
|
2 25.9109000 0.3587940
|
|
3 5.5333500 0.7007130
|
|
S 2
|
|
1 3.6649800 -0.3958970
|
|
2 0.7705450 1.2158400
|
|
P 2
|
|
1 3.6649800 0.2364600
|
|
2 0.7705450 0.8606190
|
|
S 1
|
|
1 0.1958570 1.0000000
|
|
P 1
|
|
1 0.1958570 1.0000000
|
|
|
|
NITROGEN
|
|
S 3
|
|
1 242.7660000 0.0598657
|
|
2 36.4851000 0.3529550
|
|
3 7.8144900 0.7065130
|
|
S 2
|
|
1 5.4252200 -0.4133010
|
|
2 1.1491500 1.2244200
|
|
P 2
|
|
1 5.4252200 0.2379720
|
|
2 1.1491500 0.8589530
|
|
S 1
|
|
1 0.2832050 1.0000000
|
|
P 1
|
|
1 0.2832050 1.0000000
|
|
|
|
OXYGEN
|
|
S 3
|
|
1 322.0370000 0.0592394
|
|
2 48.4308000 0.3515000
|
|
3 10.4206000 0.7076580
|
|
S 2
|
|
1 7.4029400 -0.4044530
|
|
2 1.5762000 1.2215600
|
|
P 2
|
|
1 7.4029400 0.2445860
|
|
2 1.5762000 0.8539550
|
|
S 1
|
|
1 0.3736840 1.0000000
|
|
P 1
|
|
1 0.3736840 1.0000000
|
|
|
|
FLUORINE
|
|
S 3
|
|
1 413.8010000 0.0585483
|
|
2 62.2446000 0.3493080
|
|
3 13.4340000 0.7096320
|
|
S 2
|
|
1 9.7775900 -0.4073270
|
|
2 2.0861700 1.2231400
|
|
P 2
|
|
1 9.7775900 0.2466800
|
|
2 2.0861700 0.8523210
|
|
S 1
|
|
1 0.4823830 1.0000000
|
|
P 1
|
|
1 0.4823830 1.0000000
|
|
|
|
NEON
|
|
S 3
|
|
1 515.7240000 0.0581430
|
|
2 77.6538000 0.3479510
|
|
3 16.8136000 0.7107140
|
|
S 2
|
|
1 12.4830000 -0.4099220
|
|
2 2.6645100 1.2243100
|
|
P 2
|
|
1 12.4830000 0.2474600
|
|
2 2.6645100 0.8517430
|
|
S 1
|
|
1 0.6062500 1.0000000
|
|
P 1
|
|
1 0.6062500 1.0000000
|
|
|
|
SODIUM
|
|
S 3
|
|
1 547.6130000 0.0674911
|
|
2 82.0678000 0.3935050
|
|
3 17.6917000 0.6656050
|
|
S 3
|
|
1 17.5407000 -0.1119370
|
|
2 3.7939800 0.2546540
|
|
3 0.9064410 0.8444170
|
|
P 3
|
|
1 17.5407000 0.1282330
|
|
2 3.7939800 0.4715330
|
|
3 0.9064410 0.6042730
|
|
S 2
|
|
1 0.5018240 -0.2196600
|
|
2 0.0609458 1.0891200
|
|
P 2
|
|
1 0.5018240 0.0090665
|
|
2 0.0609458 0.9972020
|
|
S 1
|
|
1 0.0244349 1.0000000
|
|
P 1
|
|
1 0.0244349 1.0000000
|
|
|
|
MAGNESIUM
|
|
S 3
|
|
1 652.8410000 0.0675982
|
|
2 98.3805000 0.3917780
|
|
3 21.2996000 0.6666610
|
|
S 3
|
|
1 23.3727000 -0.1102460
|
|
2 5.1995300 0.1841190
|
|
3 1.3150800 0.8963990
|
|
P 3
|
|
1 23.3727000 0.1210140
|
|
2 5.1995300 0.4628100
|
|
3 1.3150800 0.6069070
|
|
S 2
|
|
1 0.6113490 -0.3611010
|
|
2 0.1418410 1.2150500
|
|
P 2
|
|
1 0.6113490 0.0242633
|
|
2 0.1418410 0.9866730
|
|
S 1
|
|
1 0.0464011 1.0000000
|
|
P 1
|
|
1 0.0464011 1.0000000
|
|
|
|
ALUMINUM
|
|
S 3
|
|
1 775.7370000 0.0668347
|
|
2 116.9520000 0.3890610
|
|
3 25.3326000 0.6694680
|
|
S 3
|
|
1 29.4796000 -0.1079020
|
|
2 6.6331400 0.1462450
|
|
3 1.7267500 0.9237300
|
|
P 3
|
|
1 29.4796000 0.1175740
|
|
2 6.6331400 0.4611740
|
|
3 1.7267500 0.6055350
|
|
S 2
|
|
1 0.9461600 -0.3203270
|
|
2 0.2025060 1.1841200
|
|
P 2
|
|
1 0.9461600 0.0519383
|
|
2 0.2025060 0.9726600
|
|
S 1
|
|
1 0.0639088 1.0000000
|
|
P 1
|
|
1 0.0639088 1.0000000
|
|
|
|
SILICON
|
|
S 3
|
|
1 910.6550000 0.0660823
|
|
2 137.3360000 0.3862290
|
|
3 29.7601000 0.6723800
|
|
S 3
|
|
1 36.6716000 -0.1045110
|
|
2 8.3172900 0.1074100
|
|
3 2.2164500 0.9514460
|
|
P 3
|
|
1 36.6716000 0.1133550
|
|
2 8.3172900 0.4575780
|
|
3 2.2164500 0.6074270
|
|
S 2
|
|
1 1.0791300 -0.3761080
|
|
2 0.3024220 1.2516500
|
|
P 2
|
|
1 1.0791300 0.0671030
|
|
2 0.3024220 0.9568830
|
|
S 1
|
|
1 0.0933392 1.0000000
|
|
P 1
|
|
1 0.0933392 1.0000000
|
|
|
|
PHOSPHORUS
|
|
S 3
|
|
1 1054.9000000 0.0655410
|
|
2 159.1950000 0.3840360
|
|
3 34.5304000 0.6745410
|
|
S 3
|
|
1 44.2866000 -0.1021300
|
|
2 10.1019000 0.0815920
|
|
3 2.7399700 0.9697880
|
|
P 3
|
|
1 44.2866000 0.1108510
|
|
2 10.1019000 0.4564950
|
|
3 2.7399700 0.6069360
|
|
S 2
|
|
1 1.2186500 -0.3714950
|
|
2 0.3955460 1.2709900
|
|
P 2
|
|
1 1.2186500 0.0915820
|
|
2 0.3955460 0.9349240
|
|
S 1
|
|
1 0.1228110 1.0000000
|
|
P 1
|
|
1 0.1228110 1.0000000
|
|
|
|
SULFUR
|
|
S 3
|
|
1 1210.6200000 0.0650070
|
|
2 182.7470000 0.3820400
|
|
3 39.6673000 0.6765450
|
|
S 3
|
|
1 52.2236000 -0.1003100
|
|
2 11.9629000 0.0650880
|
|
3 3.2891100 0.9814550
|
|
P 3
|
|
1 52.2236000 0.1096460
|
|
2 11.9629000 0.4576490
|
|
3 3.2891100 0.6042610
|
|
S 2
|
|
1 1.2238400 -0.2860890
|
|
2 0.4573030 1.2280600
|
|
P 2
|
|
1 1.2238400 0.1647770
|
|
2 0.4573030 0.8708550
|
|
S 1
|
|
1 0.1422690 1.0000000
|
|
P 1
|
|
1 0.1422690 1.0000000
|
|
|
|
CHLORINE
|
|
S 3
|
|
1 1376.4000000 0.0645827
|
|
2 207.8570000 0.3803630
|
|
3 45.1554000 0.6781900
|
|
S 3
|
|
1 60.8014000 -0.0987639
|
|
2 13.9765000 0.0511338
|
|
3 3.8871000 0.9913370
|
|
P 3
|
|
1 60.8014000 0.1085980
|
|
2 13.9765000 0.4586820
|
|
3 3.8871000 0.6019620
|
|
S 2
|
|
1 1.3529900 -0.2224010
|
|
2 0.5269550 1.1825200
|
|
P 2
|
|
1 1.3529900 0.2192160
|
|
2 0.5269550 0.8223210
|
|
S 1
|
|
1 0.1667140 1.0000000
|
|
P 1
|
|
1 0.1667140 1.0000000
|
|
|
|
ARGON
|
|
S 3
|
|
1 1553.7100000 0.0641707
|
|
2 234.6780000 0.3787970
|
|
3 51.0121000 0.6797520
|
|
S 3
|
|
1 70.0453000 -0.0974661
|
|
2 16.1473000 0.0390569
|
|
3 4.5349200 0.9999160
|
|
P 3
|
|
1 70.0453000 0.1076190
|
|
2 16.1473000 0.4595760
|
|
3 4.5349200 0.6000410
|
|
S 2
|
|
1 1.5420900 -0.1768660
|
|
2 0.6072670 1.1469000
|
|
P 2
|
|
1 1.5420900 0.2556870
|
|
2 0.6072670 0.7898420
|
|
S 1
|
|
1 0.1953730 1.0000000
|
|
P 1
|
|
1 0.1953730 1.0000000
|
|
|
|
POTASSIUM
|
|
S 3
|
|
1 1721.1755000 0.0648747
|
|
2 260.0163300 0.3808593
|
|
3 56.6245540 0.6773681
|
|
S 3
|
|
1 71.5572000 -0.1093429
|
|
2 15.4389400 0.1130640
|
|
3 4.4745510 0.9462575
|
|
P 3
|
|
1 71.5572000 0.1339654
|
|
2 15.4389400 0.5302673
|
|
3 4.4745510 0.5117992
|
|
S 3
|
|
1 4.1212750 -0.2699730
|
|
2 1.1886210 0.3646323
|
|
3 0.3756740 0.8107533
|
|
P 3
|
|
1 4.1212750 0.0199492
|
|
2 1.1886210 0.4340213
|
|
3 0.3756740 0.6453226
|
|
S 2
|
|
1 0.2445770 -0.2688250
|
|
2 0.0389720 1.1289830
|
|
P 2
|
|
1 0.2445770 0.0003081
|
|
2 0.0389720 0.9998787
|
|
S 1
|
|
1 0.0160630 1.0000000
|
|
P 1
|
|
1 0.0160630 1.0000000
|
|
|
|
CALCIUM
|
|
S 3
|
|
1 1915.4348000 0.0646240
|
|
2 289.5332400 0.3798380
|
|
3 63.1063520 0.6783290
|
|
S 3
|
|
1 80.3974400 -0.1093030
|
|
2 17.3307500 0.1089000
|
|
3 5.0836240 0.9492770
|
|
P 3
|
|
1 80.3974400 0.1354330
|
|
2 17.3307500 0.5372220
|
|
3 5.0836240 0.5018040
|
|
S 3
|
|
1 4.7822290 -0.2816070
|
|
2 1.4625580 0.3410510
|
|
3 0.4792230 0.8381040
|
|
P 3
|
|
1 4.7822290 0.0190090
|
|
2 1.4625580 0.4360380
|
|
3 0.4792230 0.6386710
|
|
S 2
|
|
1 0.4396820 -0.2697050
|
|
2 0.0591300 1.1132930
|
|
P 2
|
|
1 0.4396820 0.0003080
|
|
2 0.0591300 0.9998960
|
|
S 1
|
|
1 0.0238970 1.0000000
|
|
P 1
|
|
1 0.0238970 1.0000000
|
|
|
|
SCANDIUM
|
|
S 3
|
|
1 2119.8870000 0.0644210
|
|
2 320.4299000 0.3791600
|
|
3 69.8989300 0.6789630
|
|
S 3
|
|
1 89.7645000 -0.1093840
|
|
2 19.3851000 0.1050700
|
|
3 5.7314230 0.9522050
|
|
P 3
|
|
1 89.7645000 0.1363280
|
|
2 19.3851000 0.5418600
|
|
3 5.7314230 0.4950550
|
|
S 3
|
|
1 5.4919380 -0.2852110
|
|
2 1.7437420 0.3241550
|
|
3 0.5662270 0.8565920
|
|
P 3
|
|
1 5.4919380 0.0176140
|
|
2 1.7437420 0.4336450
|
|
3 0.5662270 0.6425510
|
|
S 2
|
|
1 0.5168020 -0.2626780
|
|
2 0.0672140 1.1080790
|
|
P 2
|
|
1 0.5168020 0.0003270
|
|
2 0.0672140 0.9998930
|
|
S 1
|
|
1 0.0259850 1.0000000
|
|
P 1
|
|
1 0.0259850 1.0000000
|
|
D 2
|
|
1 5.7222150 0.2652360
|
|
2 1.3608490 0.8558610
|
|
D 1
|
|
1 0.3226520 1.0000000
|
|
|
|
TITANIUM
|
|
S 3
|
|
1 2335.0200000 0.0642170
|
|
2 353.0441000 0.3784120
|
|
3 77.0584500 0.6796810
|
|
S 3
|
|
1 99.5738700 -0.1094720
|
|
2 21.5467100 0.1019430
|
|
3 6.4139650 0.9546220
|
|
P 3
|
|
1 99.5738700 0.1372970
|
|
2 21.5467100 0.5458750
|
|
3 6.4139650 0.4890680
|
|
S 3
|
|
1 6.2382790 -0.2861370
|
|
2 1.9961080 0.3218280
|
|
3 0.6464900 0.8595510
|
|
P 3
|
|
1 6.2382790 0.0192370
|
|
2 1.9961080 0.4404420
|
|
3 0.6464900 0.6356200
|
|
S 2
|
|
1 0.5732850 -0.2424500
|
|
2 0.0731190 1.1000750
|
|
P 2
|
|
1 0.5732850 0.0002920
|
|
2 0.0731190 0.9999070
|
|
S 1
|
|
1 0.0265380 1.0000000
|
|
P 1
|
|
1 0.0265380 1.0000000
|
|
D 2
|
|
1 7.0836660 0.2629210
|
|
2 1.7096340 0.8557720
|
|
D 1
|
|
1 0.4141230 1.0000000
|
|
|
|
VANADIUM
|
|
S 3
|
|
1 2563.8770000 0.0639480
|
|
2 387.5340000 0.3775940
|
|
3 84.5982300 0.6805420
|
|
S 3
|
|
1 109.7938000 -0.1098360
|
|
2 23.7692100 0.1007070
|
|
3 7.1229610 0.9556330
|
|
P 3
|
|
1 109.7938000 0.1384210
|
|
2 23.7692100 0.5504890
|
|
3 7.1229610 0.4824170
|
|
S 3
|
|
1 6.9812040 -0.2884590
|
|
2 2.2198390 0.3364360
|
|
3 0.7198030 0.8481900
|
|
P 3
|
|
1 6.9812040 0.0218210
|
|
2 2.2198390 0.4567620
|
|
3 0.7198030 0.6186750
|
|
S 2
|
|
1 0.6312620 -0.2364900
|
|
2 0.0800620 1.0977210
|
|
P 2
|
|
1 0.6312620 0.0001900
|
|
2 0.0800620 0.9999400
|
|
S 1
|
|
1 0.0288650 1.0000000
|
|
P 1
|
|
1 0.0288650 1.0000000
|
|
D 2
|
|
1 8.3429170 0.2640620
|
|
2 2.0329440 0.8539660
|
|
D 1
|
|
1 0.4957120 1.0000000
|
|
|
|
CHROMIUM
|
|
S 3
|
|
1 2798.2940000 0.0638240
|
|
2 423.1370000 0.3770840
|
|
3 92.4388600 0.6809890
|
|
S 3
|
|
1 120.2806000 -0.1177790
|
|
2 26.0372700 0.1014310
|
|
3 7.8441720 0.9571980
|
|
P 3
|
|
1 120.2806000 0.1398780
|
|
2 26.0372700 0.5559830
|
|
3 7.8441720 0.4748180
|
|
S 3
|
|
1 7.7932760 -0.2888570
|
|
2 2.4971960 0.3351150
|
|
3 0.8051420 0.8502480
|
|
P 3
|
|
1 7.7932760 0.0221850
|
|
2 2.4971960 0.4616250
|
|
3 0.8051420 0.6145390
|
|
S 2
|
|
1 0.7039210 -0.2322510
|
|
2 0.0861620 1.0936710
|
|
P 2
|
|
1 0.7039210 0.0001800
|
|
2 0.0861620 0.9999450
|
|
S 1
|
|
1 0.0321990 1.0000000
|
|
P 1
|
|
1 0.0321990 1.0000000
|
|
D 2
|
|
1 9.6253390 0.2655960
|
|
2 2.3622640 0.8521560
|
|
D 1
|
|
1 0.5770940 1.0000000
|
|
|
|
MANGANESE
|
|
S 3
|
|
1 3041.6860000 0.0637450
|
|
2 460.0901000 0.3767490
|
|
3 100.5958000 0.6812470
|
|
S 3
|
|
1 131.7673000 -0.1102960
|
|
2 28.5691500 0.0981900
|
|
3 8.6605010 0.9576590
|
|
P 3
|
|
1 131.7673000 0.1404540
|
|
2 28.5691500 0.5578020
|
|
3 8.6605010 0.4715010
|
|
S 3
|
|
1 8.5690810 -0.2917140
|
|
2 2.7681780 0.3439630
|
|
3 0.8872880 0.8451980
|
|
P 3
|
|
1 8.5690810 0.0242240
|
|
2 2.7681780 0.4686600
|
|
3 0.8872880 0.6074210
|
|
S 2
|
|
1 0.7674430 -0.2300040
|
|
2 0.0920250 1.0914500
|
|
P 2
|
|
1 0.7674430 0.0003080
|
|
2 0.0920250 0.9999070
|
|
S 1
|
|
1 0.0332650 1.0000000
|
|
P 1
|
|
1 0.0332650 1.0000000
|
|
D 2
|
|
1 11.0688400 0.2652720
|
|
2 2.7307070 0.8517950
|
|
D 1
|
|
1 0.6685090 1.0000000
|
|
|
|
IRON
|
|
S 3
|
|
1 3299.1840000 0.0635860
|
|
2 499.0886000 0.3762020
|
|
3 109.1614000 0.6817850
|
|
S 3
|
|
1 143.4652000 -0.1105520
|
|
2 31.1685800 0.0968470
|
|
3 9.4836120 0.9587970
|
|
P 3
|
|
1 143.4652000 0.1411010
|
|
2 31.1685800 0.5603870
|
|
3 9.4836120 0.4676440
|
|
S 3
|
|
1 9.4645650 -0.2920560
|
|
2 3.1003730 0.3375240
|
|
3 0.9864930 0.8519420
|
|
P 3
|
|
1 9.4645650 0.0237620
|
|
2 3.1003730 0.4689110
|
|
3 0.9864930 0.6083110
|
|
S 2
|
|
1 0.8534120 -0.2279440
|
|
2 0.0988120 1.0882870
|
|
P 2
|
|
1 0.8534120 -0.0004260
|
|
2 0.0988120 1.0001240
|
|
S 1
|
|
1 0.0364420 1.0000000
|
|
P 1
|
|
1 0.0364420 1.0000000
|
|
D 2
|
|
1 12.3544900 0.2686110
|
|
2 3.0556050 0.8492720
|
|
D 1
|
|
1 0.7385910 1.0000000
|
|
|
|
COBALT
|
|
S 3
|
|
1 3564.7620000 0.0634870
|
|
2 539.3908000 0.3758180
|
|
3 118.0449000 0.6821220
|
|
S 3
|
|
1 155.4382000 -0.1109870
|
|
2 33.8156100 0.0967670
|
|
3 10.3332300 0.9589920
|
|
P 3
|
|
1 155.4382000 0.1420640
|
|
2 33.8156100 0.5634440
|
|
3 10.3332300 0.4630240
|
|
S 3
|
|
1 10.3815200 -0.2922620
|
|
2 3.3827140 0.3432510
|
|
3 1.0769540 0.8469630
|
|
P 3
|
|
1 10.3815200 0.0263130
|
|
2 3.3827140 0.4769170
|
|
3 1.0769540 0.5991540
|
|
S 2
|
|
1 0.9090150 -0.2174600
|
|
2 0.1050410 1.0849980
|
|
P 2
|
|
1 0.9090150 0.0002280
|
|
2 0.1050410 0.9999340
|
|
S 1
|
|
1 0.0372570 1.0000000
|
|
P 1
|
|
1 0.0372570 1.0000000
|
|
D 2
|
|
1 13.7407000 0.2709550
|
|
2 3.4089830 0.8473420
|
|
D 1
|
|
1 0.8186410 1.0000000
|
|
|
|
NICKEL
|
|
S 3
|
|
1 3848.0050000 0.0632660
|
|
2 582.0307000 0.3751710
|
|
3 127.3674000 0.6828240
|
|
S 3
|
|
1 168.2896000 -0.1111150
|
|
2 36.6563300 0.0953240
|
|
3 11.2321200 0.9601610
|
|
P 3
|
|
1 168.2896000 0.1424900
|
|
2 36.6563300 0.5655470
|
|
3 11.2321200 0.4599930
|
|
S 3
|
|
1 11.3587700 -0.2920600
|
|
2 3.7388460 0.3375410
|
|
3 1.1824630 0.8525330
|
|
P 3
|
|
1 11.3587700 0.0261380
|
|
2 3.7388460 0.4765980
|
|
3 1.1824630 0.6003800
|
|
S 2
|
|
1 0.9889040 -0.2136870
|
|
2 0.1110250 1.0819330
|
|
P 2
|
|
1 0.9889040 0.0002940
|
|
2 0.1110250 0.9999170
|
|
S 1
|
|
1 0.0392580 1.0000000
|
|
P 1
|
|
1 0.0392580 1.0000000
|
|
D 2
|
|
1 15.2206900 0.2726060
|
|
2 3.7860200 0.8459280
|
|
D 1
|
|
1 0.9045570 1.0000000
|
|
|
|
COPPER
|
|
S 3
|
|
1 4134.3020000 0.0631880
|
|
2 625.4912000 0.3748450
|
|
3 136.9556000 0.6831000
|
|
S 3
|
|
1 181.4960000 -0.1113200
|
|
2 39.5743100 0.0944870
|
|
3 12.1624600 0.9608790
|
|
P 3
|
|
1 181.4960000 0.1430840
|
|
2 39.5743100 0.5677560
|
|
3 12.1624600 0.4567140
|
|
S 3
|
|
1 12.3511100 -0.2922230
|
|
2 4.0496510 0.3429910
|
|
3 1.2792250 0.8479460
|
|
P 3
|
|
1 12.3511100 0.0277270
|
|
2 4.0496510 0.4835240
|
|
3 1.2792250 0.5929780
|
|
S 2
|
|
1 1.0498040 -0.2065080
|
|
2 0.1169330 1.0792730
|
|
P 2
|
|
1 1.0498040 0.0001390
|
|
2 0.1169330 0.9999610
|
|
S 1
|
|
1 0.0007510 1.0000000
|
|
P 1
|
|
1 0.0007510 1.0000000
|
|
D 2
|
|
1 16.7593800 0.2741120
|
|
2 4.1789770 0.8446250
|
|
D 1
|
|
1 0.9943270 1.0000000
|
|
|
|
ZINC
|
|
S 3
|
|
1 4432.2880000 0.0630930
|
|
2 670.6601000 0.3745040
|
|
3 146.9024000 0.6834160
|
|
S 3
|
|
1 195.0042000 -0.1116280
|
|
2 42.5688900 0.0943360
|
|
3 13.1214300 0.9611000
|
|
P 3
|
|
1 195.0042000 0.1438060
|
|
2 42.5688900 0.5700020
|
|
3 13.1214300 0.4533120
|
|
S 3
|
|
1 13.4023100 -0.2917810
|
|
2 4.3999060 0.3426140
|
|
3 1.3851480 0.8482840
|
|
P 3
|
|
1 13.4023100 0.0287050
|
|
2 4.3999060 0.4862520
|
|
3 1.3851480 0.5902350
|
|
S 2
|
|
1 1.1215580 -0.2023710
|
|
2 0.1229440 1.0770350
|
|
P 2
|
|
1 1.1215580 0.0003440
|
|
2 0.1229440 0.9999050
|
|
S 1
|
|
1 0.0421930 1.0000000
|
|
P 1
|
|
1 0.0421930 1.0000000
|
|
D 2
|
|
1 18.3682000 0.2753860
|
|
2 4.5913040 0.8434770
|
|
D 1
|
|
1 1.0902030 1.0000000
|
|
|
|
GALLIUM
|
|
S 3
|
|
1 4751.8979000 0.0628400
|
|
2 718.9205400 0.3736110
|
|
3 157.4459200 0.6843630
|
|
S 3
|
|
1 209.5834000 -0.1115160
|
|
2 45.6917100 0.0926960
|
|
3 14.1329700 0.9622870
|
|
P 3
|
|
1 209.5834000 0.1442660
|
|
2 45.6917100 0.5731780
|
|
3 14.1329700 0.4490860
|
|
S 3
|
|
1 14.5995400 0.2910290
|
|
2 4.8608420 -0.3231880
|
|
3 1.5491110 -0.8643910
|
|
P 3
|
|
1 14.5995400 0.0265620
|
|
2 4.8608420 0.4833140
|
|
3 1.5491110 0.5924300
|
|
S 2
|
|
1 1.2679430 -0.2851310
|
|
2 0.1883990 1.1280220
|
|
P 2
|
|
1 1.2679430 0.0301830
|
|
2 0.1883990 0.9884660
|
|
S 1
|
|
1 0.0572370 1.0000000
|
|
P 1
|
|
1 0.0572370 1.0000000
|
|
D 3
|
|
1 21.2925300 0.1619900
|
|
2 5.3931660 0.5116740
|
|
3 1.3338830 0.5898730
|
|
|
|
GERMANIUM
|
|
S 3
|
|
1 5073.7499000 0.0627250
|
|
2 767.7241700 0.3731670
|
|
3 168.1888100 0.6847870
|
|
S 3
|
|
1 224.4360000 -0.1115150
|
|
2 48.9554300 0.0912000
|
|
3 15.1837000 0.9634490
|
|
P 3
|
|
1 224.4360000 0.1446400
|
|
2 48.9554300 0.5753800
|
|
3 15.1837000 0.4459950
|
|
S 3
|
|
1 15.9125700 -0.2895650
|
|
2 5.4414370 0.2938830
|
|
3 1.7426030 0.8891990
|
|
P 3
|
|
1 15.9125700 0.0229730
|
|
2 5.4414370 0.4732450
|
|
3 1.7426030 0.6032780
|
|
S 2
|
|
1 1.4665380 -0.3967340
|
|
2 0.2630930 1.1906700
|
|
P 2
|
|
1 1.4665380 0.0278930
|
|
2 0.2630930 0.9874900
|
|
S 1
|
|
1 0.0848210 1.0000000
|
|
P 1
|
|
1 0.0848210 1.0000000
|
|
D 3
|
|
1 24.3214210 0.1577990
|
|
2 6.2238140 0.5114920
|
|
3 1.5887370 0.5857700
|
|
|
|
ARSENIC
|
|
S 3
|
|
1 5407.6138000 0.0626010
|
|
2 818.1743600 0.3727790
|
|
3 179.2656900 0.6851840
|
|
S 3
|
|
1 237.7783000 -0.1128380
|
|
2 54.2566200 0.0872270
|
|
3 16.3280300 0.9681880
|
|
P 3
|
|
1 237.7783000 0.1496800
|
|
2 54.2566200 0.5623220
|
|
3 16.3280300 0.4593230
|
|
S 3
|
|
1 17.1018500 -0.2914540
|
|
2 5.8051440 0.2969620
|
|
3 1.9020840 0.8865790
|
|
P 3
|
|
1 17.1018500 0.0256860
|
|
2 5.8051440 0.4833970
|
|
3 1.9020840 0.5887850
|
|
S 2
|
|
1 1.6754040 -0.5057610
|
|
2 0.3416560 1.2517640
|
|
P 2
|
|
1 1.6754040 0.0252820
|
|
2 0.3416560 0.9874330
|
|
S 1
|
|
1 0.1136300 1.0000000
|
|
P 1
|
|
1 0.1136300 1.0000000
|
|
D 3
|
|
1 27.4372090 0.1544950
|
|
2 7.0840440 0.5114320
|
|
3 1.8558230 0.5821940
|
|
|
|
SELENIUM
|
|
S 3
|
|
1 5751.3215000 0.0624930
|
|
2 870.2572100 0.3723680
|
|
3 190.7294900 0.6855800
|
|
S 3
|
|
1 255.0164000 -0.1119080
|
|
2 55.5765400 0.0909990
|
|
3 17.3566100 0.9636680
|
|
P 3
|
|
1 255.0164000 0.1461490
|
|
2 55.5765400 0.5813710
|
|
3 17.3566100 0.4374600
|
|
S 3
|
|
1 18.4456800 -0.2917930
|
|
2 6.3287590 0.2846210
|
|
3 2.0967580 0.8973050
|
|
P 3
|
|
1 18.4456800 0.0244210
|
|
2 6.3287590 0.4833650
|
|
3 2.0967580 0.5879040
|
|
S 2
|
|
1 1.8726330 -0.5677640
|
|
2 0.4174740 1.2941270
|
|
P 2
|
|
1 1.8726330 0.0282550
|
|
2 0.4174740 0.9849060
|
|
S 1
|
|
1 0.1370910 1.0000000
|
|
P 1
|
|
1 0.1370910 1.0000000
|
|
D 3
|
|
1 30.6274640 0.1519860
|
|
2 7.9712760 0.5116400
|
|
3 2.1348100 0.5786940
|
|
|
|
BROMINE
|
|
S 3
|
|
1 6103.2899000 0.0624180
|
|
2 923.6974300 0.3720410
|
|
3 202.5203100 0.6858730
|
|
S 3
|
|
1 270.6015000 -0.1121490
|
|
2 58.2535700 0.0931450
|
|
3 18.4693300 0.9616790
|
|
P 3
|
|
1 270.6015000 0.1477510
|
|
2 58.2535700 0.6010560
|
|
3 18.4693300 0.4128700
|
|
S 3
|
|
1 19.7614200 -0.2938700
|
|
2 6.8217520 0.2802660
|
|
3 2.2916290 0.9020360
|
|
P 3
|
|
1 19.7614200 0.0250070
|
|
2 6.8217520 0.4866100
|
|
3 2.2916290 0.5824230
|
|
S 2
|
|
1 2.1312060 -0.6518030
|
|
2 0.4993540 1.3360120
|
|
P 2
|
|
1 2.1312060 0.0287080
|
|
2 0.4993540 0.9840700
|
|
S 1
|
|
1 0.1647640 1.0000000
|
|
P 1
|
|
1 0.1647640 1.0000000
|
|
D 3
|
|
1 33.9650970 0.1496670
|
|
2 8.9008310 0.5117480
|
|
3 2.4284360 0.5759150
|
|
|
|
KRYPTON
|
|
S 3
|
|
1 6446.6307000 0.0625400
|
|
2 976.8757000 0.3721070
|
|
3 214.4795500 0.6856110
|
|
S 3
|
|
1 287.6446000 -0.1120610
|
|
2 62.6200900 0.0901390
|
|
3 19.6917400 0.9643300
|
|
P 3
|
|
1 287.6446000 0.1475280
|
|
2 62.6200900 0.5868920
|
|
3 19.6917400 0.4295070
|
|
S 3
|
|
1 21.1232100 -0.2958170
|
|
2 7.3032860 0.2792170
|
|
3 2.4888500 0.9037300
|
|
P 3
|
|
1 21.1232100 0.0260700
|
|
2 7.3032860 0.4922500
|
|
3 2.4888500 0.5742740
|
|
S 2
|
|
1 2.3613740 -0.7202450
|
|
2 0.5860160 1.3768460
|
|
P 2
|
|
1 2.3613740 0.0287750
|
|
2 0.5860160 0.9833390
|
|
S 1
|
|
1 0.1944470 1.0000000
|
|
P 1
|
|
1 0.1944470 1.0000000
|
|
D 3
|
|
1 37.3681030 0.1479470
|
|
2 9.8543130 0.5121720
|
|
3 2.7327950 0.5729500
|
|
|
|
RUBIDIUM
|
|
S 3
|
|
1 6816.7225000 0.0624960
|
|
2 1033.0007000 0.3719500
|
|
3 226.9086100 0.6857290
|
|
S 3
|
|
1 304.1283000 -0.1123300
|
|
2 66.2605800 0.0907510
|
|
3 20.9194500 0.9639410
|
|
P 3
|
|
1 304.1283000 0.1484410
|
|
2 66.2605800 0.5891250
|
|
3 20.9194500 0.4258250
|
|
S 3
|
|
1 22.4653300 -0.3004850
|
|
2 7.8774680 0.2783570
|
|
3 2.7052710 0.9076100
|
|
P 3
|
|
1 22.4653300 0.0244540
|
|
2 7.8774680 0.4944540
|
|
3 2.7052710 0.5718570
|
|
S 3
|
|
1 2.6921160 -0.3311620
|
|
2 0.7230560 0.5096990
|
|
3 0.2598380 0.6982460
|
|
P 3
|
|
1 2.6921160 0.0119010
|
|
2 0.7230560 0.4951730
|
|
3 0.2598380 0.5737240
|
|
S 2
|
|
1 0.1897140 -0.2711930
|
|
2 0.0339970 1.1415500
|
|
P 2
|
|
1 0.1897140 0.0003080
|
|
2 0.0339970 0.9998650
|
|
S 1
|
|
1 0.0147120 1.0000000
|
|
P 1
|
|
1 0.0147120 1.0000000
|
|
D 3
|
|
1 40.8660310 0.1466040
|
|
2 10.8408850 0.5127250
|
|
3 3.0508340 0.5699800
|
|
|
|
STRONTIUM
|
|
S 3
|
|
1 7215.4735000 0.0622820
|
|
2 1092.8519000 0.3713100
|
|
3 239.9818200 0.6864440
|
|
S 3
|
|
1 322.1246000 -0.1122350
|
|
2 70.0904600 0.0895440
|
|
3 22.1764100 0.9648130
|
|
P 3
|
|
1 322.1246000 0.1488370
|
|
2 70.0904600 0.5919470
|
|
3 22.1764100 0.4221710
|
|
S 3
|
|
1 23.9276300 -0.3024720
|
|
2 8.4751140 0.2700840
|
|
3 2.9429340 0.9159200
|
|
P 3
|
|
1 23.9276300 0.0248370
|
|
2 8.4751140 0.4934780
|
|
3 2.9429340 0.5709830
|
|
S 3
|
|
1 2.9409660 -0.3519850
|
|
2 0.8523560 0.4972550
|
|
3 0.3215370 0.7238600
|
|
P 3
|
|
1 2.9409660 0.0097230
|
|
2 0.8523560 0.4983220
|
|
3 0.3215370 0.5650560
|
|
S 2
|
|
1 0.3480420 -0.2851470
|
|
2 0.0481770 1.1209390
|
|
P 2
|
|
1 0.3480420 0.0003080
|
|
2 0.0481770 0.9998930
|
|
S 1
|
|
1 0.0218030 1.0000000
|
|
P 1
|
|
1 0.0218030 1.0000000
|
|
D 3
|
|
1 44.5661150 0.1451270
|
|
2 11.8814890 0.5130680
|
|
3 3.3875580 0.5676640
|
|
|
|
YTTRIUM
|
|
S 3
|
|
1 7646.4210000 0.0618910
|
|
2 1156.8630000 0.3702070
|
|
3 253.7152000 0.6877560
|
|
S 3
|
|
1 341.8540000 -0.1119000
|
|
2 74.2098600 0.0868050
|
|
3 23.5135200 0.9667850
|
|
P 3
|
|
1 341.8540000 0.1485720
|
|
2 74.2098600 0.5943070
|
|
3 23.5135200 0.4196040
|
|
S 3
|
|
1 18.8626000 -1.4778730
|
|
2 16.4540500 1.3472590
|
|
3 3.4845000 1.0062310
|
|
P 3
|
|
1 18.8626000 -0.7041410
|
|
2 16.4540500 1.0578620
|
|
3 3.4845000 0.7393820
|
|
S 3
|
|
1 3.2217330 -0.3699580
|
|
2 1.0507050 0.4308640
|
|
3 0.3925920 0.8020870
|
|
P 3
|
|
1 3.2217330 0.0024940
|
|
2 1.0507050 0.4537620
|
|
3 0.3925920 0.6130680
|
|
S 2
|
|
1 0.4327640 -0.3464580
|
|
2 0.0570120 1.1327770
|
|
P 2
|
|
1 0.4327640 -0.0013370
|
|
2 0.0570120 1.0004400
|
|
S 1
|
|
1 0.0237540 1.0000000
|
|
P 1
|
|
1 0.0237540 1.0000000
|
|
D 3
|
|
1 50.3537500 0.1367960
|
|
2 13.5307800 0.5019060
|
|
3 3.9449960 0.5788600
|
|
D 2
|
|
1 1.5301370 0.3384030
|
|
2 0.6300670 0.7293290
|
|
D 1
|
|
1 0.2165880 1.0000000
|
|
|
|
ZIRCONIUM
|
|
S 3
|
|
1 8084.5920000 0.0615780
|
|
2 1221.6680000 0.3693990
|
|
3 267.6917000 0.6887280
|
|
S 3
|
|
1 361.0212000 -0.1119070
|
|
2 78.3049500 0.0858400
|
|
3 24.8452300 0.9675130
|
|
P 3
|
|
1 361.0212000 0.1487620
|
|
2 78.3049500 0.5965690
|
|
3 24.8452300 0.4167850
|
|
S 3
|
|
1 20.0062800 -1.5443490
|
|
2 17.5741500 1.4095960
|
|
3 3.7429850 1.0093490
|
|
P 3
|
|
1 20.0062800 -0.7568480
|
|
2 17.5741500 1.1120900
|
|
3 3.7429850 0.7368020
|
|
S 3
|
|
1 3.5547880 -0.3793870
|
|
2 1.1789920 0.4232850
|
|
3 0.4446970 0.8140680
|
|
P 3
|
|
1 3.5547880 0.0025990
|
|
2 1.1789920 0.4599760
|
|
3 0.4446970 0.6058490
|
|
S 2
|
|
1 0.5050490 -0.3295120
|
|
2 0.0621160 1.1207090
|
|
P 2
|
|
1 0.5050490 -0.0012490
|
|
2 0.0621160 1.0003840
|
|
S 1
|
|
1 0.0255800 1.0000000
|
|
P 1
|
|
1 0.0255800 1.0000000
|
|
D 3
|
|
1 54.7232300 0.1348240
|
|
2 14.7741600 0.5005540
|
|
3 4.3589610 0.5787820
|
|
D 2
|
|
1 1.8628420 0.2850320
|
|
2 0.6433130 0.7972070
|
|
D 1
|
|
1 0.1993950 1.0000000
|
|
|
|
NIOBIUM
|
|
S 3
|
|
1 8466.5170000 0.0618040
|
|
2 1281.2610000 0.3698050
|
|
3 281.2311000 0.6880790
|
|
S 3
|
|
1 379.4729000 -0.1121060
|
|
2 82.3358900 0.0865030
|
|
3 26.2224800 0.9670570
|
|
P 3
|
|
1 379.4729000 0.1496670
|
|
2 82.3358900 0.5987180
|
|
3 26.2224800 0.4132380
|
|
S 3
|
|
1 21.1629400 -1.5551310
|
|
2 18.5897800 1.4179390
|
|
3 4.0099810 1.0106200
|
|
P 3
|
|
1 21.1629400 -0.7554620
|
|
2 18.5897800 1.1139660
|
|
3 4.0099810 0.7327670
|
|
S 3
|
|
1 3.8363750 -0.3891040
|
|
2 1.3033250 0.4349700
|
|
3 0.4934310 0.8115900
|
|
P 3
|
|
1 3.8363750 0.0032900
|
|
2 1.3033250 0.4716450
|
|
3 0.4934310 0.5936990
|
|
S 2
|
|
1 0.5723730 -0.3156090
|
|
2 0.0682030 1.1140470
|
|
P 2
|
|
1 0.5723730 -0.0011330
|
|
2 0.0682030 1.0003380
|
|
S 1
|
|
1 0.0271570 1.0000000
|
|
P 1
|
|
1 0.0271570 1.0000000
|
|
D 3
|
|
1 59.0121900 0.1337100
|
|
2 16.0127900 0.5000390
|
|
3 4.7771850 0.5775380
|
|
D 2
|
|
1 1.9704430 0.3106810
|
|
2 0.6619350 0.7800690
|
|
D 1
|
|
1 0.2059970 1.0000000
|
|
|
|
MOLYBDENUM
|
|
S 3
|
|
1 8899.4910000 0.0617060
|
|
2 1346.7640000 0.3694540
|
|
3 295.6352000 0.6884340
|
|
S 3
|
|
1 399.3139000 -0.1121440
|
|
2 86.5935600 0.0860110
|
|
3 27.6390400 0.9674330
|
|
P 3
|
|
1 399.3139000 0.1500660
|
|
2 86.5935600 0.6007690
|
|
3 27.6390400 0.4103860
|
|
S 3
|
|
1 22.5029200 -1.4223060
|
|
2 19.4917100 1.2841850
|
|
3 4.2781800 1.0108660
|
|
P 3
|
|
1 22.5029200 -0.6680660
|
|
2 19.4917100 1.0303460
|
|
3 4.2781800 0.7283480
|
|
S 3
|
|
1 4.1630210 -0.3964230
|
|
2 1.4353050 0.4370790
|
|
3 0.5437820 0.8148460
|
|
P 3
|
|
1 4.1630210 0.0029630
|
|
2 1.4353050 0.4791470
|
|
3 0.5437820 0.5864870
|
|
S 2
|
|
1 0.6318010 -0.3033620
|
|
2 0.0732580 1.1084130
|
|
P 2
|
|
1 0.6318010 -0.0010790
|
|
2 0.0732580 1.0003130
|
|
S 1
|
|
1 0.0280250 1.0000000
|
|
P 1
|
|
1 0.0280250 1.0000000
|
|
D 3
|
|
1 63.7804500 0.1317390
|
|
2 17.3735800 0.4985320
|
|
3 5.2307840 0.5781780
|
|
D 2
|
|
1 2.2709370 0.3112640
|
|
2 0.7546530 0.7810340
|
|
D 1
|
|
1 0.2351420 1.0000000
|
|
|
|
TECHNETIUM
|
|
S 3
|
|
1 9329.4820000 0.0617120
|
|
2 1412.5060000 0.3693370
|
|
3 310.2643000 0.6884720
|
|
S 3
|
|
1 418.8175000 -0.1124030
|
|
2 91.2507800 0.0853180
|
|
3 29.1121200 0.9681770
|
|
P 3
|
|
1 418.8175000 0.1500720
|
|
2 91.2507800 0.6000570
|
|
3 29.1121200 0.4109860
|
|
S 3
|
|
1 25.9106400 -1.3804460
|
|
2 23.2677000 1.1979000
|
|
3 4.7070830 1.0526490
|
|
P 3
|
|
1 25.9106400 -1.6552710
|
|
2 23.2677000 1.9860200
|
|
3 4.7070830 0.7290340
|
|
S 3
|
|
1 4.4411380 -0.4041140
|
|
2 1.5956390 0.4398380
|
|
3 0.5955600 0.8219360
|
|
P 3
|
|
1 4.4411380 0.0122910
|
|
2 1.5956390 0.4632070
|
|
3 0.5955600 0.5983830
|
|
S 2
|
|
1 0.6738810 -0.2700030
|
|
2 0.0772410 1.0991500
|
|
P 2
|
|
1 0.6738810 -0.0009200
|
|
2 0.0772410 1.0002640
|
|
S 1
|
|
1 0.0286960 1.0000000
|
|
P 1
|
|
1 0.0286960 1.0000000
|
|
D 3
|
|
1 68.7837500 0.1296930
|
|
2 18.8038900 0.4966190
|
|
3 5.7052280 0.5795470
|
|
D 2
|
|
1 2.5991640 0.3092190
|
|
2 0.8622760 0.7829060
|
|
D 1
|
|
1 0.2706070 1.0000000
|
|
|
|
RUTHENIUM
|
|
S 3
|
|
1 9786.1610000 0.0616050
|
|
2 1481.4770000 0.3689820
|
|
3 325.4122000 0.6888450
|
|
S 3
|
|
1 439.8665000 -0.1123910
|
|
2 95.7627300 0.0846940
|
|
3 30.6056600 0.9686380
|
|
P 3
|
|
1 439.8665000 0.1503790
|
|
2 95.7627300 0.6019290
|
|
3 30.6056600 0.4084640
|
|
S 3
|
|
1 27.2773700 -1.3955530
|
|
2 24.5108200 1.2108520
|
|
3 5.0089460 1.0540450
|
|
P 3
|
|
1 27.2773700 -1.6686180
|
|
2 24.5108200 2.0027900
|
|
3 5.0089460 0.7251440
|
|
S 3
|
|
1 4.7658120 -0.4103630
|
|
2 1.7345310 0.4480030
|
|
3 0.6466360 0.8198080
|
|
P 3
|
|
1 4.7658120 0.0112740
|
|
2 1.7345310 0.4727030
|
|
3 0.6466360 0.5898430
|
|
S 2
|
|
1 0.7406620 -0.2639660
|
|
2 0.0821710 1.0948570
|
|
P 2
|
|
1 0.7406620 -0.0007620
|
|
2 0.0821710 1.0002120
|
|
S 1
|
|
1 0.0300970 1.0000000
|
|
P 1
|
|
1 0.0300970 1.0000000
|
|
D 3
|
|
1 73.9833000 0.1277600
|
|
2 20.2814900 0.4951470
|
|
3 6.1942980 0.5806550
|
|
D 2
|
|
1 2.8891080 0.3159940
|
|
2 0.9539610 0.7780660
|
|
D 1
|
|
1 0.2958810 1.0000000
|
|
|
|
RHODIUM
|
|
S 3
|
|
1 10217.7100000 0.0617320
|
|
2 1548.4120000 0.3691530
|
|
3 340.4990000 0.6885140
|
|
S 3
|
|
1 460.7593000 -0.1124460
|
|
2 100.3289000 0.0843810
|
|
3 32.1397100 0.9689020
|
|
P 3
|
|
1 460.7593000 0.1508580
|
|
2 100.3289000 0.6035140
|
|
3 32.1397100 0.4060250
|
|
S 3
|
|
1 28.7932900 -1.4040910
|
|
2 25.9176800 1.2161690
|
|
3 5.3206400 1.0565550
|
|
P 3
|
|
1 28.7932900 -1.7122180
|
|
2 25.9176800 2.0476030
|
|
3 5.3206400 0.7229830
|
|
S 3
|
|
1 5.1097480 -0.4126470
|
|
2 1.8754140 0.4518850
|
|
3 0.6995580 0.8188990
|
|
P 3
|
|
1 5.1097480 0.0093740
|
|
2 1.8754140 0.4815540
|
|
3 0.6995580 0.5822310
|
|
S 2
|
|
1 0.8005710 -0.2553480
|
|
2 0.0873210 1.0913080
|
|
P 2
|
|
1 0.8005710 -0.0007760
|
|
2 0.0873210 1.0002120
|
|
S 1
|
|
1 0.0314070 1.0000000
|
|
P 1
|
|
1 0.0314070 1.0000000
|
|
D 3
|
|
1 79.2559700 0.1261900
|
|
2 21.7894500 0.4939540
|
|
3 6.6975180 0.5813300
|
|
D 2
|
|
1 3.1909080 0.3210400
|
|
2 1.0545750 0.7738520
|
|
D 1
|
|
1 0.3260790 1.0000000
|
|
|
|
PALLADIUM
|
|
S 3
|
|
1 10728.7400000 0.0614290
|
|
2 1624.0740000 0.3683280
|
|
3 356.7937000 0.6895030
|
|
S 3
|
|
1 482.4783000 -0.1126790
|
|
2 105.0590000 0.0846120
|
|
3 33.6814500 0.9687870
|
|
P 3
|
|
1 482.4783000 0.1510790
|
|
2 105.0590000 0.6050920
|
|
3 33.6814500 0.4039800
|
|
S 3
|
|
1 30.1865400 -1.4185470
|
|
2 27.1664200 1.2294440
|
|
3 5.6359340 1.0570830
|
|
P 3
|
|
1 30.1865400 -1.7098170
|
|
2 27.1664200 2.0493080
|
|
3 5.6359340 0.7186300
|
|
S 3
|
|
1 5.4753740 -0.4172610
|
|
2 1.9976040 0.4705880
|
|
3 0.7439300 0.8046360
|
|
P 3
|
|
1 5.4753740 0.0115840
|
|
2 1.9976040 0.4974550
|
|
3 0.7439300 0.5655270
|
|
S 2
|
|
1 0.8901630 -0.2784320
|
|
2 0.0928210 1.0930280
|
|
P 2
|
|
1 0.8901630 -0.0012720
|
|
2 0.0928210 1.0003320
|
|
S 1
|
|
1 0.0337740 1.0000000
|
|
P 1
|
|
1 0.0337740 1.0000000
|
|
D 3
|
|
1 84.2369100 0.1256430
|
|
2 23.2491900 0.4937200
|
|
3 7.1967600 0.5803430
|
|
D 2
|
|
1 3.4730770 0.3281540
|
|
2 1.1480500 0.7680270
|
|
D 1
|
|
1 0.3548110 1.0000000
|
|
|
|
SILVER
|
|
S 3
|
|
1 11190.7800000 0.0614950
|
|
2 1695.0770000 0.3684050
|
|
3 372.6752000 0.6893250
|
|
S 3
|
|
1 504.6162000 -0.1126580
|
|
2 109.8718000 0.0840280
|
|
3 35.2951300 0.9692340
|
|
P 3
|
|
1 504.6162000 0.1514800
|
|
2 109.8718000 0.6065140
|
|
3 35.2951300 0.4018300
|
|
S 3
|
|
1 31.5687700 -1.4220280
|
|
2 28.3439700 1.2340980
|
|
3 5.9451270 1.0556830
|
|
P 3
|
|
1 31.5687700 -1.6733660
|
|
2 28.3439700 2.0189760
|
|
3 5.9451270 0.7126890
|
|
S 3
|
|
1 5.8002560 -0.4196170
|
|
2 2.1272560 0.4843500
|
|
3 0.7935510 0.7952030
|
|
P 3
|
|
1 5.8002560 0.0143040
|
|
2 2.1272560 0.5071940
|
|
3 0.7935510 0.5539740
|
|
S 2
|
|
1 0.9285440 -0.2523000
|
|
2 0.0972550 1.0873920
|
|
P 2
|
|
1 0.9285440 -0.0014810
|
|
2 0.0972550 1.0003880
|
|
S 1
|
|
1 0.0349330 1.0000000
|
|
P 1
|
|
1 0.0349330 1.0000000
|
|
D 3
|
|
1 89.9333500 0.1240160
|
|
2 24.8749600 0.4923830
|
|
3 7.7381910 0.5814970
|
|
D 2
|
|
1 3.7965570 0.3314260
|
|
2 1.2566440 0.7651630
|
|
D 1
|
|
1 0.3881330 1.0000000
|
|
|
|
CADMIUM
|
|
S 3
|
|
1 11686.0900000 0.0614270
|
|
2 1770.1110000 0.3681570
|
|
3 389.2090000 0.6895720
|
|
S 3
|
|
1 527.6004000 -0.1125920
|
|
2 114.8329000 0.0832700
|
|
3 36.9582900 0.9697980
|
|
P 3
|
|
1 527.6004000 0.1518050
|
|
2 114.8329000 0.6077600
|
|
3 36.9582900 0.3999630
|
|
S 3
|
|
1 33.0154800 -1.4064710
|
|
2 29.5454300 1.2181560
|
|
3 6.2785080 1.0555200
|
|
P 3
|
|
1 33.0154800 -1.6090240
|
|
2 29.5454300 1.9595680
|
|
3 6.2785080 0.7080270
|
|
S 3
|
|
1 6.1505960 -0.4229210
|
|
2 2.2597460 0.4987710
|
|
3 0.8414260 0.7850760
|
|
P 3
|
|
1 6.1505960 0.0144820
|
|
2 2.2597460 0.5186610
|
|
3 0.8414260 0.5426660
|
|
S 2
|
|
1 0.9490690 -0.2215550
|
|
2 0.1014880 1.0809440
|
|
P 2
|
|
1 0.9490690 -0.0015400
|
|
2 0.1014880 1.0004120
|
|
S 1
|
|
1 0.0359870 1.0000000
|
|
P 1
|
|
1 0.0359870 1.0000000
|
|
D 3
|
|
1 95.4727400 0.1230830
|
|
2 26.4819600 0.4916770
|
|
3 8.2828860 0.5815410
|
|
D 2
|
|
1 4.0821410 0.3379410
|
|
2 1.3572790 0.7591680
|
|
D 1
|
|
1 0.4208310 1.0000000
|
|
|
|
INDIUM
|
|
S 3
|
|
1 12214.5470000 0.0612480
|
|
2 1848.9136000 0.3676750
|
|
3 406.3683300 0.6901360
|
|
S 3
|
|
1 550.4423000 -0.1127090
|
|
2 119.7744000 0.0834440
|
|
3 38.6692700 0.9696880
|
|
P 3
|
|
1 550.4423000 0.1523700
|
|
2 119.7744000 0.6096510
|
|
3 38.6692700 0.3970250
|
|
S 3
|
|
1 47.0293100 -0.2758950
|
|
2 22.4964200 0.0597730
|
|
3 6.6971170 1.0821480
|
|
P 3
|
|
1 47.0293100 -0.1408480
|
|
2 22.4964200 0.5290870
|
|
3 6.6971170 0.6620680
|
|
S 3
|
|
1 6.5723600 -0.4284830
|
|
2 2.5021580 0.4633640
|
|
3 0.9420250 0.8219680
|
|
P 3
|
|
1 6.5723600 0.0109130
|
|
2 2.5021580 0.5036760
|
|
3 0.9420250 0.5581810
|
|
S 2
|
|
1 1.0012210 -0.4364170
|
|
2 0.1659700 1.1898930
|
|
P 2
|
|
1 1.0012210 0.0231630
|
|
2 0.1659700 0.9903310
|
|
S 1
|
|
1 0.0543400 1.0000000
|
|
P 1
|
|
1 0.0543400 1.0000000
|
|
D 3
|
|
1 102.1735600 0.1205560
|
|
2 28.3946320 0.4884980
|
|
3 8.9248050 0.5850190
|
|
D 3
|
|
1 4.5353640 0.2508570
|
|
2 1.5371480 0.5693110
|
|
3 0.4994920 0.3840640
|
|
|
|
TIN
|
|
S 3
|
|
1 12741.6740000 0.0611350
|
|
2 1928.4692000 0.3672930
|
|
3 423.8079700 0.6905450
|
|
S 3
|
|
1 574.2875000 -0.1127460
|
|
2 124.9537000 0.0828630
|
|
3 40.3957600 0.9701510
|
|
P 3
|
|
1 574.2875000 0.1525800
|
|
2 124.9537000 0.6110110
|
|
3 40.3957600 0.3951550
|
|
S 3
|
|
1 48.8066200 -0.2824530
|
|
2 23.8358800 0.0660560
|
|
3 7.0482960 1.0819870
|
|
P 3
|
|
1 48.8066200 -0.1509630
|
|
2 23.8358800 0.5399680
|
|
3 7.0482960 0.6604820
|
|
S 3
|
|
1 6.9733780 -0.4340360
|
|
2 2.6930400 0.4610290
|
|
3 1.0259580 0.8285580
|
|
P 3
|
|
1 6.9733780 0.0119510
|
|
2 2.6930400 0.5067190
|
|
3 1.0259580 0.5529110
|
|
S 2
|
|
1 1.1314630 -0.5252080
|
|
2 0.2034090 1.2292260
|
|
P 2
|
|
1 1.1314630 0.0210710
|
|
2 0.2034090 0.9905910
|
|
S 1
|
|
1 0.0705640 1.0000000
|
|
P 1
|
|
1 0.0705640 1.0000000
|
|
D 3
|
|
1 108.0563000 0.1198240
|
|
2 30.1315760 0.4875910
|
|
3 9.5300360 0.5849870
|
|
D 3
|
|
1 4.9626100 0.2529490
|
|
2 1.7120830 0.5727610
|
|
3 0.5771950 0.3690390
|
|
|
|
ANTIMONY
|
|
S 3
|
|
1 13289.3830000 0.0609840
|
|
2 2010.5218000 0.3668490
|
|
3 441.6981500 0.6910500
|
|
S 3
|
|
1 598.8890000 -0.1127200
|
|
2 130.0385000 0.0826440
|
|
3 42.1328600 0.9702580
|
|
P 3
|
|
1 598.8890000 0.1530670
|
|
2 130.0385000 0.6135970
|
|
3 42.1328600 0.3916990
|
|
S 3
|
|
1 51.5133300 -0.2770430
|
|
2 24.4359500 0.0575030
|
|
3 7.4209310 1.0847030
|
|
P 3
|
|
1 51.5133300 -0.1378700
|
|
2 24.4359500 0.5363550
|
|
3 7.4209310 0.6508680
|
|
S 3
|
|
1 7.3142350 -0.4403810
|
|
2 2.8440530 0.4737340
|
|
3 1.1058550 0.8221350
|
|
P 3
|
|
1 7.3142350 0.0153050
|
|
2 2.8440530 0.5160830
|
|
3 1.1058550 0.5387570
|
|
S 2
|
|
1 1.2786370 -0.6016950
|
|
2 0.2412320 1.2586920
|
|
P 2
|
|
1 1.2786370 0.0222530
|
|
2 0.2412320 0.9896430
|
|
S 1
|
|
1 0.0866300 1.0000000
|
|
P 1
|
|
1 0.0866300 1.0000000
|
|
D 3
|
|
1 115.8095500 0.1166280
|
|
2 32.3058350 0.4834360
|
|
3 10.2503280 0.5901400
|
|
D 3
|
|
1 5.4862100 0.2483660
|
|
2 1.9216200 0.5743150
|
|
3 0.6660630 0.3643040
|
|
|
|
TELLURIUM
|
|
S 3
|
|
1 13796.5600000 0.0610860
|
|
2 2088.8798000 0.3669630
|
|
3 459.3931900 0.6907940
|
|
S 3
|
|
1 623.2631000 -0.1128200
|
|
2 135.3600000 0.0822520
|
|
3 44.0004800 0.9706010
|
|
P 3
|
|
1 623.2631000 0.1534190
|
|
2 135.3600000 0.6149000
|
|
3 44.0004800 0.3895160
|
|
S 3
|
|
1 54.1907800 -0.2744120
|
|
2 25.8203900 0.0518300
|
|
3 7.8095830 1.0876220
|
|
P 3
|
|
1 54.1907800 -0.1433310
|
|
2 25.8203900 0.5391880
|
|
3 7.8095830 0.6522850
|
|
S 3
|
|
1 7.7642170 -0.4467310
|
|
2 3.0439320 0.4694700
|
|
3 1.1992530 0.8298110
|
|
P 3
|
|
1 7.7642170 0.0127460
|
|
2 3.0439320 0.5221230
|
|
3 1.1992530 0.5326610
|
|
S 2
|
|
1 1.3403640 -0.5904700
|
|
2 0.2780880 1.2819680
|
|
P 2
|
|
1 1.3403640 0.0255880
|
|
2 0.2780880 0.9871020
|
|
S 1
|
|
1 0.0967260 1.0000000
|
|
P 1
|
|
1 0.0967260 1.0000000
|
|
D 3
|
|
1 121.4083000 0.1169140
|
|
2 34.0152170 0.4835560
|
|
3 10.8691380 0.5883860
|
|
D 3
|
|
1 5.8031110 0.2601940
|
|
2 2.0580660 0.5797760
|
|
3 0.7328300 0.3405580
|
|
|
|
IODINE
|
|
S 3
|
|
1 14351.1860000 0.0610030
|
|
2 2173.0741000 0.3666400
|
|
3 477.8720500 0.6911310
|
|
S 3
|
|
1 648.1887000 -0.1128510
|
|
2 140.3064000 0.0832280
|
|
3 45.6988000 0.9697520
|
|
P 3
|
|
1 648.1887000 0.1541140
|
|
2 140.3064000 0.6194620
|
|
3 45.6988000 0.3837580
|
|
S 3
|
|
1 56.6946900 -0.2736970
|
|
2 27.4887500 0.0465000
|
|
3 8.2090960 1.0915760
|
|
P 3
|
|
1 56.6946900 -0.1523220
|
|
2 27.4887500 0.5437690
|
|
3 8.2090960 0.6561680
|
|
S 3
|
|
1 8.1916790 -0.4508280
|
|
2 3.2445960 0.4632090
|
|
3 1.3004890 0.8386360
|
|
P 3
|
|
1 8.1916790 0.0118700
|
|
2 3.2445960 0.5265250
|
|
3 1.3004890 0.5266080
|
|
S 2
|
|
1 1.4513800 -0.6658520
|
|
2 0.3281030 1.3285840
|
|
P 2
|
|
1 1.4513800 0.0275410
|
|
2 0.3281030 0.9851370
|
|
S 1
|
|
1 0.1150760 1.0000000
|
|
P 1
|
|
1 0.1150760 1.0000000
|
|
D 3
|
|
1 128.0902600 0.1158640
|
|
2 35.9823780 0.4820490
|
|
3 11.5511160 0.5894450
|
|
D 3
|
|
1 6.1461520 0.2681820
|
|
2 2.2209370 0.5800610
|
|
3 0.8099120 0.3262260
|
|
|
|
XENON
|
|
S 3
|
|
1 14902.2360000 0.0609970
|
|
2 2256.5383000 0.3666290
|
|
3 496.3731700 0.6911150
|
|
S 3
|
|
1 673.6611000 -0.1129130
|
|
2 145.8491000 0.0829050
|
|
3 47.5770800 0.9700290
|
|
P 3
|
|
1 673.6611000 0.1544270
|
|
2 145.8491000 0.6206170
|
|
3 47.5770800 0.3820040
|
|
S 3
|
|
1 59.1675200 -0.2739770
|
|
2 28.6115900 0.0455300
|
|
3 8.5965960 1.0925280
|
|
P 3
|
|
1 59.1675200 -0.1518570
|
|
2 28.6115900 0.5471510
|
|
3 8.5965960 0.6519540
|
|
S 3
|
|
1 8.6386760 -0.4558410
|
|
2 3.4628180 0.4617360
|
|
3 1.4010400 0.8442880
|
|
P 3
|
|
1 8.6386760 0.0095850
|
|
2 3.4628180 0.5298190
|
|
3 1.4010400 0.5235980
|
|
S 2
|
|
1 1.5784740 -0.7277720
|
|
2 0.3750810 1.3627970
|
|
P 2
|
|
1 1.5784740 0.0280720
|
|
2 0.3750810 0.9842640
|
|
S 1
|
|
1 0.1331790 1.0000000
|
|
P 1
|
|
1 0.1331790 1.0000000
|
|
D 3
|
|
1 134.9133100 0.1150110
|
|
2 37.9563870 0.4815950
|
|
3 12.2274750 0.5896130
|
|
D 3
|
|
1 6.6004930 0.2718840
|
|
2 2.3980510 0.5855570
|
|
3 0.8864820 0.3127460
|
|
|
|
CESIUM
|
|
S 3
|
|
1 15525.8660000 0.0607240
|
|
2 2349.0055000 0.3658420
|
|
3 516.2355500 0.6920470
|
|
S 3
|
|
1 687.5050500 -0.1102130
|
|
2 67.1911570 0.7272030
|
|
3 27.9920030 0.3401430
|
|
S 3
|
|
1 60.1681880 -0.2753150
|
|
2 10.8686940 0.8901280
|
|
3 4.7407050 0.2648630
|
|
S 3
|
|
1 9.8871630 -0.3688270
|
|
2 2.3693430 0.8325820
|
|
3 1.1416760 0.3887890
|
|
S 3
|
|
1 1.7690780 -0.3409420
|
|
2 0.3836200 0.7000970
|
|
3 0.1713060 0.4934520
|
|
S 2
|
|
1 0.2118490 -0.2750220
|
|
2 0.0403240 0.1936040
|
|
S 1
|
|
1 0.0170580 1.0000000
|
|
P 3
|
|
1 1024.2833000 0.0791850
|
|
2 239.6488900 0.4199330
|
|
3 71.2555480 0.6432510
|
|
P 3
|
|
1 139.4586400 -0.0331230
|
|
2 25.8108100 0.3891080
|
|
3 10.1394520 0.6790330
|
|
P 3
|
|
1 4.3242440 0.3816690
|
|
2 1.9364150 0.5769760
|
|
3 0.8145050 0.1154050
|
|
P 1
|
|
1 0.5945840 1.0000000
|
|
P 1
|
|
1 0.2749920 1.0000000
|
|
P 1
|
|
1 0.1115530 1.0000000
|
|
D 3
|
|
1 144.0513900 0.1118300
|
|
2 40.5051460 0.4768350
|
|
3 13.0862440 0.5954170
|
|
D 3
|
|
1 7.3715780 0.2537250
|
|
2 2.7248240 0.5788860
|
|
3 1.0266780 0.3325980
|
|
|
|
|