LCPQ/qp2
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qp2/data/basis/pvtz_sadlej

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Initial commit
2019-01-25 11:39:31 +01:00
HYDROGEN
S 4
1 33.8650140 0.0060680
2 5.0947880 0.0453160
3 1.1587860 0.2028460
4 0.3258400 0.5037090
S 1
1 0.1027410 1.0000000
S 1
1 0.0324000 1.0000000
P 2
1 1.1588000 0.1884400
2 0.3258000 0.8824200
P 2
1 0.1027000 0.1178000
2 0.0324000 0.0042000
LITHIUM
S 5
1 1359.4466000 0.0008440
2 204.0264700 0.0064860
3 46.5495410 0.0324770
4 13.2325940 0.1174200
5 4.2861480 0.2945800
S 2
1 1.4955420 0.4495150
2 0.5422380 0.5422380
S 1
1 0.0739680 1.0000000
S 1
1 0.0280950 1.0000000
S 1
1 0.0106710 1.0000000
P 4
1 4.1700000 0.0051120
2 1.1725600 0.0209070
3 0.3292700 0.0916720
4 0.0927100 0.4492600
P 1
1 0.0260700 1.0000000
P 1
1 0.0073310 1.0000000
D 2
1 0.3292700 0.1597570
2 0.0927100 1.4754840
D 2
1 0.0260700 0.3705780
2 0.0073310 0.0178470
BERYLLIUM
S 5
1 2732.3281000 0.0007450
2 410.3198100 0.0057220
3 93.6726480 0.0288800
4 26.5879570 0.1070760
5 8.6295600 0.2801010
S 2
1 3.0562640 0.4454480
2 1.1324240 0.2802620
S 1
1 0.1817320 1.0000000
S 1
1 0.0591700 1.0000000
S 1
1 0.0192650 1.0000000
P 4
1 7.6400000 0.0046300
2 1.8636000 0.0329610
3 0.4550900 0.1204040
4 0.1110700 0.3395230
P 1
1 0.0271080 1.0000000
P 1
1 0.0066160 1.0000000
D 2
1 0.4550900 0.1784800
2 0.1110700 1.0187600
D 2
1 0.0271080 0.4223640
2 0.0066160 0.0600330
CARBON
S 5
1 5240.6353000 0.0009370
2 782.2048000 0.0072280
3 178.3508300 0.0363440
4 50.8159420 0.1306000
5 16.8235620 0.3189310
S 2
1 6.1757760 0.4387420
2 2.4180490 0.2149740
S 1
1 0.5119000 1.0000000
S 1
1 0.1565900 1.0000000
S 1
1 0.0479000 1.0000000
P 4
1 18.8418000 0.0138870
2 4.1592400 0.0862790
3 1.2067100 0.2887440
4 0.3855400 0.4994110
P 1
1 0.1219400 1.0000000
P 1
1 0.0385680 1.0000000
D 2
1 1.2067000 0.2628500
2 0.3855000 0.8043000
D 2
1 0.1219000 0.6535000
2 0.0386000 0.8636000
NITROGEN
S 5
1 8104.0716000 0.0008020
2 1216.0215000 0.0061740
3 277.2342800 0.0312330
4 76.9040230 0.1151980
5 25.8744190 0.2969510
S 2
1 9.3467670 0.4473490
2 3.5797940 0.2450030
S 1
1 0.7396100 1.0000000
S 1
1 0.2226170 1.0000000
S 1
1 0.0670060 1.0000000
P 4
1 26.8689870 0.0144780
2 5.9912270 0.0911560
3 1.7508420 0.2974200
4 0.5605110 0.4937960
P 1
1 0.1759480 1.0000000
P 1
1 0.0552310 1.0000000
D 2
1 1.7508000 0.2247700
2 0.5605000 0.6595600
D 2
1 0.1795900 0.8713600
2 0.0552000 0.7042200
OXYGEN
S 5
1 10662.2850000 0.0007990
2 1599.7097000 0.0061530
3 364.7252600 0.0311570
4 103.6517900 0.1155960
5 33.9058050 0.3015520
S 2
1 12.2874690 0.4448700
2 4.7568050 0.2431720
S 1
1 1.0042710 1.0000000
S 1
1 0.3006860 1.0000000
S 1
1 0.0900300 1.0000000
P 4
1 34.8564630 0.0156480
2 7.8431310 0.0981970
3 2.3062490 0.3077680
4 0.7231640 0.4924700
P 1
1 0.2148820 1.0000000
P 1
1 0.0638500 1.0000000
D 2
1 2.3062000 0.2027000
2 0.7232000 0.5791000
D 2
1 0.2149000 0.7854500
2 0.0639000 0.5338700
FLUORINE
S 5
1 13521.5230000 0.0008010
2 2028.6916000 0.0061640
3 462.3739200 0.0312440
4 131.3736600 0.1160810
5 42.9745310 0.3035890
S 2
1 15.5714400 0.4459040
2 6.0322320 0.2391150
S 1
1 1.3072150 1.0000000
S 1
1 0.3888690 1.0000000
S 1
1 0.1156800 1.0000000
P 4
1 44.1473030 0.0165090
2 9.9934260 0.1034810
3 2.9532460 0.3154810
4 0.9185970 0.4893530
P 1
1 0.2668240 1.0000000
P 1
1 0.0775000 1.0000000
D 2
1 2.9532000 0.1835400
2 0.9186000 0.5105800
D 2
1 0.2668000 0.6992500
2 0.0775000 0.4292600
SODIUM
S 6
1 36166.4000000 0.0010320
2 5372.5800000 0.0080710
3 1213.2100000 0.0421280
4 339.6200000 0.1697860
5 109.5500000 0.5146090
6 38.7770000 0.3798340
S 3
1 38.7770000 0.3747630
2 14.5760000 0.5757710
3 5.2699000 0.1139280
S 1
1 1.8278000 1.0000000
S 1
1 0.6199000 1.0000000
S 1
1 0.0572000 1.0000000
S 1
1 0.0240000 1.0000000
S 1
1 0.0101000 1.0000000
P 6
1 144.6450000 0.0054570
2 33.9070000 0.0391380
3 10.6290000 0.1519240
4 3.8239000 0.3330980
5 1.4443000 0.4222840
6 0.5526000 0.2811970
P 1
1 0.1887000 1.0000000
P 1
1 0.0465000 1.0000000
P 1
1 0.0163000 1.0000000
P 1
1 0.0057000 1.0000000
D 2
1 1.4443000 0.3513790
2 0.5526000 0.3782730
D 2
1 0.1887000 0.0111800
2 0.0465000 0.2787510
MAGNESIUM
S 6
1 43886.5000000 0.0009180
2 6605.3700000 0.0070470
3 1513.2600000 0.0359410
4 432.3170000 0.1414610
5 142.1490000 0.4267630
6 51.3980000 0.4979760
S 3
1 51.3980000 0.2513550
2 19.9200000 0.6186710
3 8.0247000 0.1884160
S 1
1 2.5082000 1.0000000
S 1
1 0.8715000 1.0000000
S 1
1 0.1082000 1.0000000
S 1
1 0.0401000 1.0000000
S 1
1 0.0149000 1.0000000
P 6
1 193.8540000 0.0048020
2 45.4420000 0.0355160
3 14.1860000 0.1448930
4 5.0575000 0.3381790
5 1.8886000 0.4411040
6 0.7227000 0.2608490
P 1
1 0.2364000 1.0000000
P 1
1 0.0934000 1.0000000
P 1
1 0.0348000 1.0000000
P 1
1 0.0130000 1.0000000
D 2
1 1.8886000 0.3209750
2 0.7227000 0.3068390
D 2
1 0.2364000 0.0280440
2 0.0934000 0.1785540
SILICON
S 6
1 69379.2300000 0.0007570
2 10354.9400000 0.0059320
3 2333.8800000 0.0310880
4 657.1400000 0.1249660
5 214.3000000 0.3868960
6 77.6290000 0.5548900
S 3
1 77.6290000 0.1778820
2 30.6310000 0.6277560
3 12.8010000 0.2476310
S 1
1 3.9269000 1.0000000
S 1
1 1.4523000 1.0000000
S 1
1 0.2562000 1.0000000
S 1
1 0.0943000 1.0000000
S 1
1 0.0347000 1.0000000
P 6
1 335.4800000 0.0036160
2 78.9000000 0.0278660
3 24.9880000 0.1186780
4 9.2197000 0.2987500
5 3.6211000 0.4411920
6 1.4513000 0.3127010
P 1
1 0.5050000 1.0000000
P 1
1 0.1863000 1.0000000
P 1
1 0.0654000 1.0000000
P 1
1 0.0230000 1.0000000
D 2
1 0.5050000 0.2261000
2 0.1863000 1.0759000
D 2
1 0.0654000 0.1636000
2 0.0230000 0.1077000
PHOSPHORUS
S 6
1 77492.4300000 0.0007870
2 11605.7900000 0.0061090
3 2645.9600000 0.0313680
4 754.9800000 0.1242910
5 248.7500000 0.3806820
6 91.1570000 0.5599890
S 3
1 91.1570000 0.1639970
2 36.2260000 0.6259270
3 15.2110000 0.2622110
S 1
1 4.7138000 1.0000000
S 1
1 1.7827000 1.0000000
S 1
1 0.3425000 1.0000000
S 1
1 0.1246000 1.0000000
S 1
1 0.0453000 1.0000000
P 6
1 384.8400000 0.0003765
2 90.5520000 0.0290100
3 28.8060000 0.1229530
4 10.6880000 0.3064700
5 4.2521000 0.4413490
6 1.7405000 0.2958170
P 1
1 0.5979000 1.0000000
P 1
1 0.2292000 1.0000000
P 1
1 0.0838000 1.0000000
P 1
1 0.0306000 1.0000000
D 2
1 0.5979000 0.3093000
2 0.2292000 0.9715000
D 2
1 0.0838000 0.1278000
2 0.0306000 0.0774000
SULFUR
S 6
1 99413.4000000 0.0007420
2 13961.7000000 0.0057900
3 3169.9000000 0.0299410
4 902.4600000 0.1189750
5 297.1600000 0.3682900
6 108.7020000 0.5774890
S 3
1 108.7020000 0.1429320
2 43.1550000 0.6246490
3 18.1080000 0.2834000
S 1
1 5.5705000 1.0000000
S 1
1 2.1427000 1.0000000
S 1
1 0.4340000 1.0000000
S 1
1 0.1570000 1.0000000
S 1
1 0.0568000 1.0000000
P 6
1 495.0400000 0.0031710
2 117.2200000 0.0246430
3 37.5070000 0.1078450
4 13.9100000 0.2884890
5 5.5045000 0.4481080
6 2.2433000 0.3205170
P 1
1 0.7762000 1.0000000
P 1
1 0.2919000 1.0000000
P 1
1 0.1029000 1.0000000
P 1
1 0.0363000 1.0000000
D 2
1 0.7762000 0.2915000
2 0.2919000 0.8966000
D 2
1 0.1029000 0.1138000
2 0.0363000 0.0568000
CHLORINE
S 6
1 105818.8000000 0.0007430
2 15872.0000000 0.0057540
3 3619.7000000 0.0296740
4 1030.8000000 0.1179910
5 339.9100000 0.3653190
6 124.5380000 0.5811460
S 3
1 124.5380000 0.1375430
2 49.5140000 0.6229200
3 20.8060000 0.2901060
S 1
1 6.4648000 1.0000000
S 1
1 2.5254000 1.0000000
S 1
1 0.5378000 1.0000000
S 1
1 0.1935000 1.0000000
S 1
1 0.0696000 1.0000000
P 6
1 589.7800000 0.0029820
2 139.8500000 0.0233750
3 44.7950000 0.1039980
4 16.6120000 0.2844300
5 6.5995000 0.4506860
6 2.7141000 0.3230640
P 1
1 0.9528000 1.0000000
P 1
1 0.3580000 1.0000000
P 1
1 0.1250000 1.0000000
P 1
1 0.0436000 1.0000000
D 2
1 0.9528000 0.2853000
2 0.3580000 0.8169000
D 2
1 0.1250000 0.1013000
2 0.0436000 0.0430000
POTASSIUM
S 9
1 151351.9000000 0.0002585
2 22745.9100000 0.0019920
3 5227.1660000 0.0101469
4 1500.1880000 0.0403666
5 495.4703000 0.1273002
6 180.9008000 0.2985825
7 71.2176900 0.4185002
8 29.3842800 0.2370813
9 8.6992430 0.0202067
S 9
1 151351.9000000 0.0000745
2 22745.9100000 0.0005698
3 5227.1660000 0.0029599
4 1500.1880000 0.0117604
5 495.4703000 0.0400206
6 180.9008000 0.1023769
7 71.2176900 0.2050881
8 29.3842800 0.1351508
9 8.6992430 -0.5025714
S 9
1 151351.9000000 -0.0000245
2 22745.9100000 -0.0001882
3 5227.1660000 -0.0009718
4 1500.1880000 -0.0039039
5 495.4703000 -0.0131897
6 180.9008000 -0.0347707
7 71.2176900 -0.0700552
8 29.3842800 -0.0525456
9 8.6992430 0.2420632
S 1
1 3.4733040 1.0000000
S 1
1 0.8145620 1.0000000
S 1
1 0.3189150 1.0000000
S 1
1 0.0354840 1.0000000
S 1
1 0.0163900 1.0000000
S 1
1 0.0075700 1.0000000
P 8
1 868.3903000 0.0023351
2 205.5765000 0.0187544
3 65.9123000 0.0865586
4 24.5986300 0.2502799
5 9.8822810 0.4300397
6 4.1167510 0.3511437
7 1.5560040 0.0664197
8 0.6121880 -0.0512530
P 8
1 868.3903000 0.0001788
2 205.5765000 0.0057641
3 65.9123000 0.0274699
4 24.5986300 0.0813920
5 9.8822810 0.1513598
6 4.1167510 0.1082711
7 1.5560040 -0.2619370
8 0.6121880 -0.5840310
P 1
1 0.2230530 1.0000000
P 1
1 0.0812600 1.0000000
P 1
1 0.0296100 1.0000000
P 1
1 0.0107900 1.0000000
P 1
1 0.0039300 1.0000000
D 2
1 0.6121900 0.5723700
2 0.2230500 0.6652800
D 2
1 0.0296100 0.3765800
2 0.0107900 0.3729500
CALCIUM
S 9
1 171297.1500000 0.0002510
2 25997.4300000 0.0019090
3 5996.4800000 0.0097392
4 1714.7300000 0.0391060
5 563.6532000 0.1244994
6 204.9460000 0.2952087
7 80.4514700 0.4195611
8 33.1409200 0.2427536
9 9.8791460 0.0215154
S 9
1 171297.1500000 -0.0000731
2 25997.4300000 -0.0005518
3 5996.4800000 -0.0028696
4 1714.7300000 -0.0115111
5 563.6532000 -0.0394741
6 204.9460000 -0.1021232
7 80.4514700 -0.2061724
8 33.1409200 -0.1414723
9 9.8791460 0.4959007
S 9
1 171297.1500000 0.0000251
2 25997.4300000 0.0001906
3 5996.4800000 0.0009853
4 1714.7300000 0.0039962
5 563.6532000 0.0136087
6 204.9460000 0.0362825
7 80.4514700 0.0737642
8 33.1409200 0.0575850
9 9.8791460 -0.2526893
S 1
1 3.9946700 1.0000000
S 1
1 0.9853430 1.0000000
S 1
1 0.4116160 1.0000000
S 1
1 0.0656050 1.0000000
S 1
1 0.0267400 1.0000000
S 1
1 0.0106200 1.0000000
P 8
1 1003.0270000 0.0022207
2 237.8239000 0.0178648
3 76.5694800 0.0827314
4 28.7376800 0.2419521
5 11.6368800 0.4242078
6 4.9032080 0.3585782
7 1.9233700 0.0750382
8 0.7800580 0.0045102
P 8
1 1003.0270000 -0.0007275
2 237.8239000 -0.0058537
3 76.5694800 -0.0279479
4 28.7376800 -0.0840570
5 11.6368800 -0.1590285
6 4.9032080 -0.1215982
7 1.9233700 0.2485835
8 0.7800580 0.5954336
P 1
1 0.2937640 1.0000000
P 1
1 0.1106300 1.0000000
P 1
1 0.0416600 1.0000000
P 1
1 0.0156900 1.0000000
P 1
1 0.0059100 1.0000000
D 2
1 0.7800600 0.5187000
2 0.2937600 0.5658700
D 2
1 0.0416600 0.3333500
2 0.0156900 0.1408900
BROMINE
S 10
1 379677.7000000 0.0003842
2 56125.1800000 0.0030003
3 12967.3500000 0.0148907
4 3836.0820000 0.0547746
5 1331.9960000 0.1567715
6 508.0421000 0.3328099
7 207.7812000 0.3985678
8 90.4218500 0.1765368
9 33.0043700 0.0124906
10 14.3563900 -0.0017219
S 10
1 379677.7000000 -0.0001208
2 56125.1800000 -0.0009411
3 12967.3500000 -0.0047442
4 3836.0820000 -0.0177026
5 1331.9960000 -0.0549918
6 508.0421000 -0.1333894
7 207.7812000 -0.2345111
8 90.4218500 -0.0972103
9 33.0043700 0.5425917
10 14.3563900 0.5718584
S 10
1 379677.7000000 0.0000480
2 56125.1800000 0.0003749
3 12967.3500000 0.0018827
4 3836.0820000 0.0070977
5 1331.9960000 0.0220139
6 508.0421000 0.0553369
7 207.7812000 0.0995058
8 90.4218500 0.0498142
9 33.0043700 -0.3574409
10 14.3563900 -0.5171876
S 10
1 379677.7000000 -0.0000147
2 56125.1800000 -0.0001147
3 12967.3500000 -0.0005766
4 3836.0820000 -0.0021735
5 1331.9960000 -0.0067547
6 508.0421000 -0.0170164
7 207.7812000 -0.0308665
8 90.4218500 -0.0156180
9 33.0043700 0.1175750
10 14.3563900 0.1828625
S 1
1 4.7285250 1.0000000
S 1
1 2.0329670 1.0000000
S 1
1 0.4127060 1.0000000
S 1
1 0.1561420 1.0000000
S 1
1 0.0590740 1.0000000
P 8
1 3167.9100000 0.0024643
2 762.5044000 0.0195907
3 249.3963000 0.0911694
4 95.2317700 0.2656020
5 39.9230100 0.4355430
6 17.7816600 0.3117761
7 7.6772640 0.0602091
8 3.3420640 -0.0019929
P 8
1 3167.9100000 -0.0009940
2 762.5044000 -0.0079501
3 249.3963000 -0.0382891
4 95.2317700 -0.1169117
5 39.9230100 -0.2090161
6 17.7816600 -0.0968376
7 7.6772640 0.3512283
8 3.3420640 0.5698537
P 8
1 3167.9100000 0.0002588
2 762.5044000 0.0020438
3 249.3963000 0.0100386
4 95.2317700 0.0302452
5 39.9230100 0.0565897
6 17.7816600 0.0195855
7 7.6772640 -0.1056535
8 3.3420640 -0.2254965
P 1
1 1.4424220 1.0000000
P 1
1 0.4423200 1.0000000
P 1
1 0.1377720 1.0000000
P 1
1 0.0429130 1.0000000
D 3
1 96.1500100 0.0265128
2 27.8390800 0.1500642
3 9.8510670 0.3804896
D 2
1 3.6101870 0.4802772
2 1.2515440 0.2478854
D 2
1 1.4424000 0.0039500
2 0.4423000 0.8038800
D 2
1 0.1378000 0.1348000
2 0.0429000 0.0623100
F 2
1 27.8391000 0.0284410
2 9.8510700 0.1212280
F 2
1 3.6101900 0.2527710
2 1.2515400 0.2215790
RUBIDIUM
S 11
1 432918.4000000 0.0003702
2 65814.0500000 0.0027958
3 15362.0400000 0.0138520
4 4506.9500000 0.0525392
5 1533.2620000 0.1548470
6 581.0960000 0.3266449
7 240.2168000 0.3942463
8 106.1112000 0.1884079
9 40.8223500 0.0169109
10 18.6952100 -0.0027738
11 7.8508940 0.0015422
S 11
1 432918.4000000 -0.0001170
2 65814.0500000 -0.0008825
3 15362.0400000 -0.0044259
4 4506.9500000 -0.0170923
5 1533.2620000 -0.0542487
6 581.0960000 -0.1318217
7 240.2168000 -0.2270311
8 106.1112000 -0.1210690
9 40.8223500 0.4500893
10 18.6952100 0.6067418
11 7.8508940 0.1309709
S 11
1 432918.4000000 0.0000474
2 65814.0500000 0.0003577
3 15362.0400000 0.0017934
4 4506.9500000 0.0069599
5 1533.2620000 0.0222237
6 581.0960000 0.0553560
7 240.2168000 0.0991963
8 106.1112000 0.0590832
9 40.8223500 -0.2849879
10 18.6952100 -0.5616608
11 7.8508940 0.0689380
S 11
1 432918.4000000 0.0000160
2 65814.0500000 0.0001208
3 15362.0400000 0.0006053
4 4506.9500000 0.0023542
5 1533.2620000 0.0075095
6 581.0960000 0.0188356
7 240.2168000 0.0337959
8 106.1112000 0.0208811
9 40.8223500 -0.1045566
10 18.6952100 -0.2150989
11 7.8508940 0.0261794
S 1
1 3.9461500 1.0000000
S 1
1 1.8440390 1.0000000
S 1
1 0.6921720 1.0000000
S 1
1 0.2767670 1.0000000
S 1
1 0.0388900 1.0000000
S 1
1 0.0196320 1.0000000
S 1
1 0.0099100 1.0000000
P 9
1 3772.3600000 0.0022490
2 896.8498000 0.0184178
3 291.1774000 0.0870550
4 111.1665000 0.2573574
5 46.5977900 0.4345148
6 20.6194700 0.3247940
7 8.5458030 0.0629600
8 3.7278070 -0.0030106
9 1.6260880 0.0022704
P 9
1 3772.3600000 -0.0009326
2 896.8498000 -0.0076486
3 291.1774000 -0.0375836
4 111.1665000 -0.1157393
5 46.5977900 -0.2156986
6 20.6194700 -0.1012843
7 8.5458030 0.3833983
8 3.7278070 0.5723888
9 1.6260880 0.1849965
P 9
1 3772.3600000 -0.0002799
2 896.8498000 -0.0022837
3 291.1774000 -0.0113521
4 111.1665000 -0.0348942
5 46.5977900 -0.0669017
6 20.6194700 -0.0258668
7 8.5458030 0.1441241
8 3.7278070 0.2591167
9 1.6260880 -0.0224242
P 1
1 0.6081540 1.0000000
P 1
1 0.2112570 1.0000000
P 1
1 0.0733850 1.0000000
P 1
1 0.0254920 1.0000000
P 1
1 0.0088550 1.0000000
P 1
1 0.0030800 1.0000000
D 4
1 132.3326000 0.0195685
2 38.8014200 0.1189378
3 14.1053800 0.3295870
4 5.5366160 0.4546232
D 2
1 2.2396680 0.2973777
2 0.8594320 0.0591820
D 2
1 0.6081500 0.0803100
2 0.2112600 0.1031300
D 2
1 0.0254900 0.4448800
2 0.0088600 0.3769800
STRONTIUM
S 11
1 447503.8000000 0.0003798
2 68033.8500000 0.0028661
3 15907.6500000 0.0141474
4 4680.1810000 0.0533898
5 1596.1080000 0.1567703
6 605.0268000 0.3300455
7 249.6655000 0.3942621
8 110.2371000 0.1828827
9 42.3458100 0.0156887
10 19.3274900 -0.0026167
11 7.9437520 0.0014832
S 11
1 447503.8000000 -0.0001203
2 68033.8500000 -0.0009069
3 15907.6500000 -0.0045334
4 4680.1810000 -0.0174169
5 1596.1080000 -0.0551668
6 605.0268000 -0.1339385
7 249.6655000 -0.2298919
8 110.2371000 -0.1140530
9 42.3458100 0.4696420
10 19.3274900 0.5982430
11 7.9437520 0.1203188
S 11
1 447503.8000000 -0.0000491
2 68033.8500000 -0.0003708
3 15907.6500000 -0.0018536
4 4680.1810000 -0.0071557
5 1596.1080000 -0.0228119
6 605.0268000 -0.0567806
7 249.6655000 -0.1015780
8 110.2371000 -0.0563682
9 42.3458100 0.3036405
10 19.3274900 0.5673199
11 7.9437520 -0.1357764
S 11
1 447503.8000000 0.0000174
2 68033.8500000 0.0001318
3 15907.6500000 0.0006578
4 4680.1810000 0.0025467
5 1596.1080000 0.0081037
6 605.0268000 0.0203430
7 249.6655000 0.0363698
8 110.2371000 0.0211538
9 42.3458100 -0.1180747
10 19.3274900 0.2289793
11 7.9437520 0.0548220
S 1
1 3.9979270 1.0000000
S 1
1 1.9333140 1.0000000
S 1
1 0.7163350 1.0000000
S 1
1 0.3058170 1.0000000
S 1
1 0.0548750 1.0000000
S 1
1 0.0229440 1.0000000
S 1
1 0.0095930 1.0000000
P 9
1 3942.2350000 0.0023006
2 935.3613000 0.0188799
3 303.6026000 0.0890580
4 115.8908000 0.2622162
5 48.5602900 0.4375272
6 21.4999100 0.3176983
7 8.9469840 0.0589489
8 3.8696500 -0.0025145
9 1.6177320 0.0019810
P 9
1 3942.2350000 0.0009647
2 935.3613000 0.0079381
3 303.6026000 0.0389159
4 115.8908000 0.1196339
5 48.5602900 0.2200890
6 21.4999100 0.0948126
7 8.9469840 -0.4042590
8 3.8696500 -0.5806063
9 1.6177320 -0.1588206
P 9
1 3942.2350000 -0.0003111
2 935.3613000 -0.0025477
3 303.6026000 -0.0126331
4 115.8908000 -0.0388058
5 48.5602900 -0.0734370
6 21.4999100 -0.0252119
7 8.9469840 0.1658146
8 3.8696500 0.2875260
9 1.6177320 -0.0807917
P 1
1 0.6419830 1.0000000
P 1
1 0.2384950 1.0000000
P 1
1 0.0887670 1.0000000
P 1
1 0.0330390 1.0000000
P 1
1 0.0122970 1.0000000
P 1
1 0.0045770 1.0000000
D 4
1 137.7742000 0.0208295
2 40.4442800 0.1258918
3 14.6880900 0.3443574
4 5.7521290 0.4614710
D 2
1 2.3249550 0.2762676
2 0.8891110 0.0443842
D 2
1 0.6419800 0.8349200
2 0.2385000 0.8083100
D 2
1 0.0330400 0.3940000
2 0.0123000 0.1110900
IODINE
S 13
1 1024924.8000000 -0.0003112
2 154843.1300000 -0.0023822
3 35646.3360000 -0.0121028
4 10272.6300000 -0.0473906
5 3434.4769000 -0.1443574
6 1284.4313000 -0.3164481
7 525.6418900 -0.4018988
8 230.7412700 -0.2058581
9 87.2552170 -0.0195178
10 39.4944640 0.0035105
11 14.2545200 -0.0021503
12 7.6466089 0.0019077
13 3.0500598 -0.0017174
S 13
1 1024924.8000000 0.0001012
2 154843.1300000 0.0007736
3 35646.3360000 0.0039784
4 10272.6300000 0.0158201
5 3434.4769000 0.0517979
6 1284.4313000 0.1298812
7 525.6418900 0.2340313
8 230.7412700 0.1378589
9 87.2552170 -0.4704590
10 39.4944640 -0.6244144
11 14.2545200 -0.1186834
12 7.6466089 0.0377119
13 3.0500598 -0.0247635
S 13
1 1024924.8000000 -0.0000451
2 154843.1300000 -0.0003451
3 35646.3360000 -0.0017715
4 10272.6300000 -0.0070961
5 3434.4769000 -0.0233084
6 1284.4313000 -0.0602625
7 525.6418900 -0.1124651
8 230.7412700 -0.0761724
9 87.2552170 0.3515680
10 39.4944640 0.6449758
11 14.2545200 -0.4140994
12 7.6466089 -0.8084290
13 3.0500598 -0.1559773
S 13
1 1024924.8000000 -0.0000203
2 154843.1300000 -0.0001556
3 35646.3360000 -0.0007992
4 10272.6300000 -0.0032017
5 3434.4769000 -0.0105449
6 1284.4313000 -0.0273582
7 525.6418900 -0.0516988
8 230.7412700 -0.0355751
9 87.2552170 0.1753485
10 39.4944640 0.3578347
11 14.2545200 -0.3285772
12 7.6466089 -0.9202006
13 3.0500598 0.2478261
S 13
1 1024924.8000000 0.0000069
2 154843.1300000 0.0000529
3 35646.3360000 0.0002719
4 10272.6300000 0.0010883
5 3434.4769000 0.0035900
6 1284.4313000 0.0093065
7 525.6418900 0.0176738
8 230.7412700 0.0121096
9 87.2552170 -0.0605902
10 39.4944640 -0.1275278
11 14.2545200 0.1280144
12 7.6466089 0.3725377
13 3.0500598 -0.1394091
S 1
1 1.7326181 1.0000000
S 1
1 0.8768236 1.0000000
S 1
1 0.6349930 1.0000000
S 1
1 0.2564976 1.0000000
S 1
1 0.1061169 1.0000000
S 1
1 0.0439022 1.0000000
P 10
1 7299.0410000 0.0026316
2 1767.8671000 0.0204925
3 590.0943300 0.0932057
4 231.4938700 0.2616339
5 101.7317600 0.4158847
6 47.5691190 0.3128182
7 22.2754040 0.0714857
8 10.8408970 0.0010960
9 5.2379498 0.0006345
10 2.5466334 -0.0003811
P 10
1 7299.0410000 0.0012293
2 1767.8671000 0.0096738
3 590.0943300 0.0455881
4 231.4938700 0.1356119
5 101.7317600 0.2345662
6 47.5691190 0.1201292
7 22.2754040 -0.3495375
8 10.8408970 -0.5837640
9 5.2379498 -0.2062012
10 2.5466334 -0.8572306
P 10
1 7299.0410000 0.0005366
2 1767.8671000 0.0042285
3 590.0943300 0.0200867
4 231.4938700 0.0603974
5 101.7317600 0.1067446
6 47.5691190 0.0467467
7 22.2754040 -0.2201150
8 10.8408970 -0.4207903
9 5.2379498 0.0628580
10 2.5466334 0.6434501
P 10
1 7299.0410000 0.0001599
2 1767.8671000 0.0012612
3 590.0943300 0.0059946
4 231.4938700 0.0180769
5 101.7317600 0.0320064
6 47.5691190 0.0137283
7 22.2754040 -0.0700630
8 10.8408970 -0.1360543
9 5.2379498 0.0381252
10 2.5466334 0.2700960
P 1
1 1.2106848 1.0000000
P 1
1 0.5744092 1.0000000
P 1
1 0.2465331 1.0000000
P 1
1 0.0913532 1.0000000
P 1
1 0.0338511 1.0000000
D 4
1 370.3763900 0.0160789
2 109.7104700 0.1091329
3 41.1992160 0.3277467
4 17.2846070 0.4658406
D 4
1 370.3763900 0.0066648
2 109.7104700 0.0461780
3 41.1992160 0.1405037
4 17.2846070 0.1865116
D 4
1 7.8154415 0.2640157
2 3.7428153 0.0438970
3 1.6595878 0.0030830
4 0.6526591 -0.0004230
D 4
1 7.8154415 0.0108920
2 3.7428153 0.3827473
3 1.6595878 0.5259328
4 0.6526591 0.2222319
D 2
1 0.5744090 0.2480650
2 0.2465330 1.0729530
D 2
1 0.0913530 0.1366340
2 0.0338510 0.0543600
F 2
1 7.8154415 0.0038960
2 3.7428153 0.1978390
F 2
1 1.6595878 0.4082540
2 0.6526591 0.2750830
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