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QuantumPackage/data/basis/sto-3g
2019-01-25 11:39:31 +01:00

1680 lines
53 KiB
Plaintext

HYDROGEN
S 3
1 3.42525091 0.15432897
2 0.62391373 0.53532814
3 0.16885540 0.44463454
HELIUM
S 3
1 6.36242139 0.15432897
2 1.15892300 0.53532814
3 0.31364979 0.44463454
LITHIUM
S 3
1 16.1195750 0.15432897
2 2.9362007 0.53532814
3 0.7946505 0.44463454
S 3
1 0.6362897 -0.0999672
2 0.1478601 0.3995128
3 0.0480887 0.7001155
P 3
1 0.6362897 0.1559163
2 0.1478601 0.6076837
3 0.0480887 0.3919574
BERYLLIUM
S 3
1 30.1678710 0.15432897
2 5.4951153 0.53532814
3 1.4871927 0.44463454
S 3
1 1.3148331 -0.0999672
2 0.3055389 0.3995128
3 0.0993707 0.7001155
P 3
1 1.3148331 0.1559163
2 0.3055389 0.6076837
3 0.0993707 0.3919574
BORON
S 3
1 48.7911130 0.15432897
2 8.8873622 0.53532814
3 2.4052670 0.44463454
S 3
1 2.2369561 -0.0999672
2 0.5198205 0.3995128
3 0.1690618 0.7001155
P 3
1 2.2369561 0.1559163
2 0.5198205 0.6076837
3 0.1690618 0.3919574
CARBON
S 3
1 71.6168370 0.15432897
2 13.0450960 0.53532814
3 3.5305122 0.44463454
S 3
1 2.9412494 -0.0999672
2 0.6834831 0.3995128
3 0.2222899 0.7001155
P 3
1 2.9412494 0.1559163
2 0.6834831 0.6076837
3 0.2222899 0.3919574
NITROGEN
S 3
1 99.1061690 0.15432897
2 18.0523120 0.53532814
3 4.8856602 0.44463454
S 3
1 3.7804559 -0.0999672
2 0.8784966 0.3995128
3 0.2857144 0.7001155
P 3
1 3.7804559 0.1559163
2 0.8784966 0.6076837
3 0.2857144 0.3919574
OXYGEN
S 3
1 130.7093200 0.15432897
2 23.8088610 0.53532814
3 6.4436083 0.44463454
S 3
1 5.0331513 -0.0999672
2 1.1695961 0.3995128
3 0.3803890 0.7001155
P 3
1 5.0331513 0.1559163
2 1.1695961 0.6076837
3 0.3803890 0.3919574
FLUORINE
S 3
1 166.6791300 0.15432897
2 30.3608120 0.53532814
3 8.2168207 0.44463454
S 3
1 6.4648032 -0.0999672
2 1.5022812 0.3995128
3 0.4885885 0.7001155
P 3
1 6.4648032 0.1559163
2 1.5022812 0.6076837
3 0.4885885 0.3919574
NEON
S 3
1 207.0156100 0.15432897
2 37.7081510 0.53532814
3 10.2052970 0.44463454
S 3
1 8.2463151 -0.0999672
2 1.9162662 0.3995128
3 0.6232293 0.7001155
P 3
1 8.2463151 0.1559163
2 1.9162662 0.6076837
3 0.6232293 0.3919574
SODIUM
S 3
1 250.7724300 0.1543289673
2 45.6785110 0.5353281423
3 12.3623880 0.4446345422
S 3
1 12.0401930 -0.0999672
2 2.7978819 0.3995128
3 0.9099580 0.7001155
P 3
1 12.0401930 0.1559163
2 2.7978819 0.6076837
3 0.9099580 0.3919574
S 3
1 1.4787406 -0.2196204
2 0.4125649 0.2255954
3 0.1614751 0.9003984
P 3
1 1.4787406 0.0105876
2 0.4125649 0.5951670
3 0.1614751 0.4620010
MAGNESIUM
S 3
1 299.2374000 0.1543289673
2 54.5064700 0.5353281423
3 14.7515800 0.4446345422
S 3
1 15.1218200 -0.0999672
2 3.5139870 0.3995128
3 1.1428570 0.7001155
P 3
1 15.1218200 0.1559163
2 3.5139870 0.6076837
3 1.1428570 0.3919574
S 3
1 1.3954480 -0.2196204
2 0.3893260 0.2255954
3 0.1523800 0.9003984
P 3
1 1.3954480 0.0105876
2 0.3893260 0.5951670
3 0.1523800 0.4620010
ALUMINUM
S 3
1 351.4214767 0.1543289673
2 64.01186067 0.5353281423
3 17.32410761 0.4446345422
S 3
1 18.8993962 -0.0999672
2 4.3918132 0.3995128
3 1.4283540 0.7001155
P 3
1 18.8993962 0.1559163
2 4.3918132 0.6076837
3 1.4283540 0.3919574
S 3
1 1.3954483 -0.2196204
2 0.3893265 0.2255954
3 0.1523798 0.9003984
P 3
1 1.3954483 0.0105876
2 0.3893265 0.5951670
3 0.1523798 0.4620010
SILICON
S 3
1 407.7975514 0.1543289673
2 74.28083305 0.5353281423
3 20.10329229 0.4446345422
S 3
1 23.1936561 -0.0999672
2 5.3897069 0.3995128
3 1.7529000 0.7001155
P 3
1 23.1936561 0.1559163
2 5.3897069 0.6076837
3 1.7529000 0.3919574
S 3
1 1.4787406 -0.2196204
2 0.4125649 0.2255954
3 0.1614751 0.9003984
P 3
1 1.4787406 0.0105876
2 0.4125649 0.5951670
3 0.1614751 0.4620010
PHOSPHORUS
S 3
1 468.3656378 0.1543289673
2 85.31338559 0.5353281423
3 23.08913156 0.4446345422
S 3
1 28.0326396 -0.0999672
2 6.5141826 0.3995128
3 2.1186144 0.7001155
P 3
1 28.0326396 0.1559163
2 6.5141826 0.6076837
3 2.1186144 0.3919574
S 3
1 1.7431032 -0.2196204
2 0.4863214 0.2255954
3 0.1903429 0.9003984
P 3
1 1.7431032 0.0105876
2 0.4863214 0.5951670
3 0.1903429 0.4620010
SULFUR
S 3
1 533.1257359 0.1543289673
2 97.10951830 0.5353281423
3 26.28162542 0.4446345422
S 3
1 33.3297517 -0.0999672
2 7.7451175 0.3995128
3 2.5189526 0.7001155
P 3
1 33.3297517 0.1559163
2 7.7451175 0.6076837
3 2.5189526 0.3919574
S 3
1 2.0291943 -0.2196204
2 0.5661401 0.2255954
3 0.2215834 0.9003984
P 3
1 2.0291943 0.0105876
2 0.5661401 0.5951670
3 0.2215834 0.4620010
CHLORINE
S 3
1 601.3456136 0.1543289673
2 109.5358542 0.5353281423
3 29.64467686 0.4446345422
S 3
1 38.9604189 -0.0999672
2 9.0535635 0.3995128
3 2.9444998 0.7001155
P 3
1 38.9604189 0.1559163
2 9.0535635 0.6076837
3 2.9444998 0.3919574
S 3
1 2.1293865 -0.2196204
2 0.5940934 0.2255954
3 0.2325241 0.9003984
P 3
1 2.1293865 0.0105876
2 0.5940934 0.5951670
3 0.2325241 0.4620010
ARGON
S 3
1 674.4465184 0.1543289673
2 122.8512753 0.5353281423
3 33.24834945 0.4446345422
S 3
1 45.1642439 -0.0999672
2 10.4951990 0.3995128
3 3.4133644 0.7001155
P 3
1 45.1642439 0.1559163
2 10.4951990 0.6076837
3 3.4133644 0.3919574
S 3
1 2.6213665 -0.2196204
2 0.7313546 0.2255954
3 0.2862472 0.9003984
P 3
1 2.6213665 0.0105876
2 0.7313546 0.5951670
3 0.2862472 0.4620010
POTASSIUM
S 3
1 771.5103681 0.1543289673
2 140.5315766 0.5353281423
3 38.03332899 0.4446345422
S 3
1 52.4020398 -0.0999672
2 12.1771071 0.3995128
3 3.9603732 0.7001155
P 3
1 52.4020398 0.1559163
2 12.1771071 0.6076837
3 3.9603732 0.3919574
S 3
1 3.6515840 -0.2196204
2 1.0187827 0.2255954
3 0.3987446 0.9003984
P 3
1 3.6515840 0.0105876
2 1.0187827 0.5951670
3 0.3987446 0.4620010
S 3
1 0.5039823 -0.3088441
2 0.1860011 0.0196064
3 0.0821401 1.1310344
P 3
1 0.5039823 -0.1215469
2 0.1860011 0.5715228
3 0.0821401 0.5498949
CALCIUM
S 3
1 854.0324951 0.1543289673
2 155.5630851 0.5353281423
3 42.10144179 0.4446345422
S 3
1 59.5602994 -0.0999672
2 13.8405327 0.3995128
3 4.5013708 0.7001155
P 3
1 59.5602994 0.1559163
2 13.8405327 0.6076837
3 4.5013708 0.3919574
S 3
1 4.3747063 -0.2196204
2 1.2205319 0.2255954
3 0.4777079 0.9003984
P 3
1 4.3747063 0.0105876
2 1.2205319 0.5951670
3 0.4777079 0.4620010
S 3
1 0.4558490 -0.3088441
2 0.1682369 0.0196064
3 0.0742952 1.1310344
P 3
1 0.4558490 -0.1215469
2 0.1682369 0.5715228
3 0.0742952 0.5498949
SCANDIUM
S 3
1 941.6624250 0.1543289673
2 171.5249862 0.5353281423
3 46.42135516 0.4446345422
S 3
1 67.1766877 -0.0999672
2 15.6104175 0.3995128
3 5.0769923 0.7001155
P 3
1 67.1766877 0.1559163
2 15.6104175 0.6076837
3 5.0769923 0.3919574
S 3
1 4.6981592 -0.2277635
2 1.4330883 0.2175436
3 0.5529300 0.9166770
P 3
1 4.6981592 0.0049515
2 1.4330883 0.5777665
3 0.5529300 0.4846460
S 3
1 0.6309328 -0.3088441
2 0.2328539 0.0196064
3 0.1028307 1.1310344
P 3
1 0.6309328 -0.1215469
2 0.2328539 0.5715228
3 0.1028307 0.5498949
D 3
1 0.5517000679 0.2197679508
2 0.1682861055 0.6555473627
3 0.0649300112 0.2865732590
TITANIUM
S 3
1 1033.5712450 0.1543289673
2 188.2662926 0.5353281423
3 50.95220601 0.4446345422
S 3
1 75.2512046 -0.0999672
2 17.4867616 0.3995128
3 5.6872376 0.7001155
P 3
1 75.2512046 0.1559163
2 17.4867616 0.6076837
3 5.6872376 0.3919574
S 3
1 5.3955355 -0.2277635
2 1.6458103 0.2175436
3 0.6350048 0.9166770
P 3
1 5.3955355 0.0049515
2 1.6458103 0.5777665
3 0.6350048 0.4846460
S 3
1 0.7122640 -0.3088441
2 0.2628702 0.0196064
3 0.1160863 1.1310344
P 3
1 0.7122640 -0.1215469
2 0.2628702 0.5715228
3 0.1160863 0.5498949
D 3
1 1.645981194 0.2197679508
2 0.502076728 0.6555473627
3 0.193716810 0.2865732590
VANADIUM
S 3
1 1130.7625170 0.1543289673
2 205.9698041 0.5353281423
3 55.74346711 0.4446345422
S 3
1 83.7838501 -0.0999672
2 19.4695649 0.3995128
3 6.3321068 0.7001155
P 3
1 83.7838501 0.1559163
2 19.4695649 0.6076837
3 6.3321068 0.3919574
S 3
1 6.1411513 -0.2277635
2 1.8732469 0.2175436
3 0.7227569 0.9166770
P 3
1 6.1411513 0.0049515
2 1.8732469 0.5777665
3 0.7227569 0.4846460
S 3
1 0.7122640 -0.3088441
2 0.2628702 0.0196064
3 0.1160863 1.1310344
P 3
1 0.7122640 -0.1215469
2 0.2628702 0.5715228
3 0.1160863 0.5498949
D 3
1 2.964817927 0.2197679508
2 0.9043639676 0.6555473627
3 0.3489317337 0.2865732590
CHROMIUM
S 3
1 1232.3204500 0.1543289673
2 224.4687082 0.5353281423
3 60.74999251 0.4446345422
S 3
1 92.7746242 -0.0999672
2 21.5588275 0.3995128
3 7.0115998 0.7001155
P 3
1 92.7746242 0.1559163
2 21.5588275 0.6076837
3 7.0115998 0.3919574
S 3
1 6.8994881 -0.2277635
2 2.1045638 0.2175436
3 0.8120061 0.9166770
P 3
1 6.8994881 0.0049515
2 2.1045638 0.5777665
3 0.8120061 0.4846460
S 3
1 0.7547781 -0.3088441
2 0.2785606 0.0196064
3 0.1230153 1.1310344
P 3
1 0.7547781 -0.1215469
2 0.2785606 0.5715228
3 0.1230153 0.5498949
D 3
1 4.241479241 0.2197679508
2 1.293786360 0.6555473627
3 0.4991829993 0.2865732590
MANGANESE
S 3
1 1337.1532660 0.1543289673
2 243.5641365 0.5353281423
3 65.91796062 0.4446345422
S 3
1 102.0220021 -0.0999672
2 23.7077192 0.3995128
3 7.7104861 0.7001155
P 3
1 102.0220021 0.1559163
2 23.7077192 0.6076837
3 7.7104861 0.3919574
S 3
1 7.7019609 -0.2277635
2 2.3493436 0.2175436
3 0.9064498 0.9166770
P 3
1 7.7019609 0.0049515
2 2.3493436 0.5777665
3 0.9064498 0.4846460
S 3
1 0.6709823 -0.3088441
2 0.2476347 0.0196064
3 0.1093581 1.1310344
P 3
1 0.6709823 -0.1215469
2 0.2476347 0.5715228
3 0.1093581 0.5498949
D 3
1 5.426950461 0.2197679508
2 1.655392868 0.6555473627
3 0.638702032 0.2865732590
IRON
S 3
1 1447.4004110 0.1543289673
2 263.6457916 0.5353281423
3 71.35284019 0.4446345422
S 3
1 111.9194891 -0.0999672
2 26.0076824 0.3995128
3 8.4585055 0.7001155
P 3
1 111.9194891 0.1559163
2 26.0076824 0.6076837
3 8.4585055 0.3919574
S 3
1 8.5485698 -0.2277635
2 2.6075863 0.2175436
3 1.0060878 0.9166770
P 3
1 8.5485698 0.0049515
2 2.6075863 0.5777665
3 1.0060878 0.4846460
S 3
1 0.5921157 -0.3088441
2 0.2185279 0.0196064
3 0.0965042 1.1310344
P 3
1 0.5921157 -0.1215469
2 0.2185279 0.5715228
3 0.0965042 0.5498949
D 3
1 6.411803475 0.2197679508
2 1.955804428 0.6555473627
3 0.754610151 0.2865732590
COBALT
S 3
1 1557.2987040 0.1543289673
2 283.6639029 0.5353281423
3 76.77052234 0.4446345422
S 3
1 121.8344741 -0.0999672
2 28.3117116 0.3995128
3 9.2078473 0.7001155
P 3
1 121.8344741 0.1559163
2 28.3117116 0.6076837
3 9.2078473 0.3919574
S 3
1 9.4808517 -0.2277635
2 2.8919620 0.2175436
3 1.1158088 0.9166770
P 3
1 9.4808517 0.0049515
2 2.8919620 0.5777665
3 1.1158088 0.4846460
S 3
1 0.5921157 -0.3088441
2 0.2185279 0.0196064
3 0.0965042 1.1310344
P 3
1 0.5921157 -0.1215469
2 0.2185279 0.5715228
3 0.0965042 0.5498949
D 3
1 7.664527389 0.2197679508
2 2.337925151 0.6555473627
3 0.902044205 0.2865732590
NICKEL
S 3
1 1679.7710280 0.1543289673
2 305.9723896 0.5353281423
3 82.80806943 0.4446345422
S 3
1 132.8588899 -0.0999672
2 30.8735488 0.3995128
3 10.0410363 0.7001155
P 3
1 132.8588899 0.1559163
2 30.8735488 0.6076837
3 10.0410363 0.3919574
S 3
1 10.3307434 -0.2277635
2 3.1512060 0.2175436
3 1.2158332 0.9166770
P 3
1 10.3307434 0.0049515
2 3.1512060 0.5777665
3 1.2158332 0.4846460
S 3
1 0.6309328 -0.3088441
2 0.2328539 0.0196064
3 0.1028307 1.1310344
P 3
1 0.6309328 -0.1215469
2 0.2328539 0.5715228
3 0.1028307 0.5498949
D 3
1 8.627722755 0.2197679508
2 2.631730438 0.6555473627
3 1.015403419 0.2865732590
COPPER
S 3
1 1801.8067300 0.1543289673
2 328.2013450 0.5353281423
3 88.82409228 0.4446345422
S 3
1 144.1212184 -0.0999672
2 33.4906717 0.3995128
3 10.8922059 0.7001155
P 3
1 144.1212184 0.1559163
2 33.4906717 0.6076837
3 10.8922059 0.3919574
S 3
1 11.3077540 -0.2277635
2 3.4492254 0.2175436
3 1.3308184 0.9166770
P 3
1 11.3077540 0.0049515
2 3.4492254 0.5777665
3 1.3308184 0.4846460
S 3
1 0.6309328 -0.3088441
2 0.2328539 0.0196064
3 0.1028307 1.1310344
P 3
1 0.6309328 -0.1215469
2 0.2328539 0.5715228
3 0.1028307 0.5498949
D 3
1 9.647911930 0.2197679508
2 2.942920654 0.6555473627
3 1.135470278 0.2865732590
ZINC
S 3
1 1929.4323010 0.1543289673
2 351.4485021 0.5353281423
3 95.11568021 0.4446345422
S 3
1 155.8416755 -0.0999672
2 36.2142539 0.3995128
3 11.7779993 0.7001155
P 3
1 155.8416755 0.1559163
2 36.2142539 0.6076837
3 11.7779993 0.3919574
S 3
1 12.2815274 -0.2277635
2 3.7462573 0.2175436
3 1.4454225 0.9166770
P 3
1 12.2815274 0.0049515
2 3.7462573 0.5777665
3 1.4454225 0.4846460
S 3
1 0.8897139 -0.3088441
2 0.3283604 0.0196064
3 0.1450074 1.1310344
P 3
1 0.8897139 -0.1215469
2 0.3283604 0.5715228
3 0.1450074 0.5498949
D 3
1 10.94737077 0.2197679508
2 3.339297018 0.6555473627
3 1.288404602 0.2865732590
GALLIUM
S 3
1 2061.4245320 0.1543289673
2 375.4910517 0.5353281423
3 101.6225324 0.4446345422
S 3
1 167.7618680 -0.0999672
2 38.9842503 0.3995128
3 12.6788881 0.7001155
P 3
1 167.7618680 0.1559163
2 38.9842503 0.6076837
3 12.6788881 0.3919574
S 3
1 12.6150552 -0.2277635
2 3.8479939 0.2175436
3 1.4846757 0.9166770
P 3
1 12.6150552 0.0049515
2 3.8479939 0.5777665
3 1.4846757 0.4846460
S 3
1 0.7985244 -0.3088441
2 0.2947057 0.0196064
3 0.1301452 1.1310344
P 3
1 0.7985244 -0.1215469
2 0.2947057 0.5715228
3 0.1301452 0.5498949
D 3
1 12.61505520 0.2197679508
2 3.847993927 0.6555473627
3 1.484675684 0.2865732590
GERMANIUM
S 3
1 2196.3842290 0.1543289673
2 400.0741292 0.5353281423
3 108.2756726 0.4446345422
S 3
1 180.3890380 -0.0999672
2 41.9185330 0.3995128
3 13.6332079 0.7001155
P 3
1 180.3890380 0.1559163
2 41.9185330 0.6076837
3 13.6332079 0.3919574
S 3
1 14.1966562 -0.2277635
2 4.3304326 0.2175436
3 1.6708155 0.9166770
P 3
1 14.1966562 0.0049515
2 4.3304326 0.5777665
3 1.6708155 0.4846460
S 3
1 0.9858326 -0.3088441
2 0.3638342 0.0196064
3 0.1606730 1.1310344
P 3
1 0.9858326 -0.1215469
2 0.3638342 0.5715228
3 0.1606730 0.5498949
D 3
1 14.19665619 0.2197679508
2 4.330432640 0.6555473627
3 1.670815538 0.2865732590
ARSENIC
S 3
1 2337.0656730 0.1543289673
2 425.6994298 0.5353281423
3 115.2108790 0.4446345422
S 3
1 193.1970535 -0.0999672
2 44.8948404 0.3995128
3 14.6011955 0.7001155
P 3
1 193.1970535 0.1559163
2 44.8948404 0.6076837
3 14.6011955 0.3919574
S 3
1 15.8716358 -0.2277635
2 4.8413548 0.2175436
3 1.8679452 0.9166770
P 3
1 15.8716358 0.0049515
2 4.8413548 0.5777665
3 1.8679452 0.4846460
S 3
1 1.1076815 -0.3088441
2 0.4088041 0.0196064
3 0.1805322 1.1310344
P 3
1 1.1076815 -0.1215469
2 0.4088041 0.5715228
3 0.1805322 0.5498949
D 3
1 15.87163584 0.2197679508
2 4.841354819 0.6555473627
3 1.867945198 0.2865732590
SELENIUM
S 3
1 2480.6268140 0.1543289673
2 451.8492708 0.5353281423
3 122.2880464 0.4446345422
S 3
1 206.1578780 -0.0999672
2 47.9066573 0.3995128
3 15.5807318 0.7001155
P 3
1 206.1578780 0.1559163
2 47.9066573 0.6076837
3 15.5807318 0.3919574
S 3
1 17.6399941 -0.2277635
2 5.3807605 0.2175436
3 2.0760647 0.9166770
P 3
1 17.6399941 0.0049515
2 5.3807605 0.5777665
3 2.0760647 0.4846460
S 3
1 1.2146443 -0.3088441
2 0.4482801 0.0196064
3 0.1979652 1.1310344
P 3
1 1.2146443 -0.1215469
2 0.4482801 0.5715228
3 0.1979652 0.5498949
D 3
1 17.63999414 0.2197679508
2 5.380760465 0.6555473627
3 2.076064666 0.2865732590
BROMINE
S 3
1 2629.9974710 0.1543289673
2 479.0573224 0.5353281423
3 129.6516070 0.4446345422
S 3
1 219.8350255 -0.0999672
2 51.0849322 0.3995128
3 16.6144055 0.7001155
P 3
1 219.8350255 0.1559163
2 51.0849322 0.6076837
3 16.6144055 0.3919574
S 3
1 19.5017311 -0.2277635
2 5.9486496 0.2175436
3 2.2951739 0.9166770
P 3
1 19.5017311 0.0049515
2 5.9486496 0.5777665
3 2.2951739 0.4846460
S 3
1 1.3960375 -0.3088441
2 0.5152256 0.0196064
3 0.2275291 1.1310344
P 3
1 1.3960375 -0.1215469
2 0.5152256 0.5715228
3 0.2275291 0.5498949
D 3
1 19.50173109 0.2197679508
2 5.948649577 0.6555473627
3 2.295173940 0.2865732590
KRYPTON
S 3
1 2782.1600550 0.1543289673
2 506.7739270 0.5353281423
3 137.1528019 0.4446345422
S 3
1 233.9514118 -0.0999672
2 54.3652768 0.3995128
3 17.6812753 0.7001155
P 3
1 233.9514118 0.1559163
2 54.3652768 0.6076837
3 17.6812753 0.3919574
S 3
1 21.4568467 -0.2277635
2 6.5450222 0.2175436
3 2.5252730 0.9166770
P 3
1 21.4568467 0.0049515
2 6.5450222 0.5777665
3 2.5252730 0.4846460
S 3
1 1.5900493 -0.3088441
2 0.5868282 0.0196064
3 0.2591495 1.1310344
P 3
1 1.5900493 -0.1215469
2 0.5868282 0.5715228
3 0.2591495 0.5498949
D 3
1 21.45684671 0.2197679508
2 6.545022156 0.6555473627
3 2.525273021 0.2865732590
RUBIDIUM
S 3
1 2938.6015290 0.1543289673
2 535.2699370 0.5353281423
3 144.8649340 0.4446345422
S 3
1 248.5070370 -0.0999672
2 57.7476910 0.3995128
3 18.7813410 0.7001155
P 3
1 248.5070370 0.1559163
2 57.7476910 0.6076837
3 18.7813410 0.3919574
S 3
1 23.5053410 -0.2277635
2 7.1698782 0.2175436
3 2.7663619 0.9166770
P 3
1 23.5053410 0.0049515
2 7.1698782 0.5777665
3 2.7663619 0.4846460
S 3
1 2.2477968 -0.3088441
2 0.8295784 0.0196064
3 0.3663506 1.1310344
P 3
1 2.2477968 -0.1215469
2 0.8295784 0.5715228
3 0.3663506 0.5498949
S 3
1 0.4869940 -0.3842643
2 0.2622162 -0.1972567
3 0.1158255 1.3754955
P 3
1 0.4869940 -0.3481692
2 0.2622162 0.6290324
3 0.1158255 0.6662833
D 3
1 23.50534097 0.2197679508
2 7.169878201 0.6555473627
3 2.766361909 0.2865732590
STRONTIUM
S 3
1 3100.9839510 0.1543289673
2 564.8480978 0.5353281423
3 152.8699389 0.4446345422
S 3
1 263.5019007 -0.0999672
2 61.2321749 0.3995128
3 19.9146037 0.7001155
P 3
1 263.5019007 0.1559163
2 61.2321749 0.6076837
3 19.9146037 0.3919574
S 3
1 25.5788669 -0.2277635
2 7.8023697 0.2175436
3 3.0103968 0.9166770
P 3
1 25.5788669 0.0049515
2 7.8023697 0.5777665
3 3.0103968 0.4846460
S 3
1 2.4610324 -0.3088441
2 0.9082757 0.0196064
3 0.4011041 1.1310344
P 3
1 2.4610324 -0.1215469
2 0.9082757 0.5715228
3 0.4011041 0.5498949
S 3
1 0.4370805 -0.3842643
2 0.2353408 -0.1972567
3 0.1039542 1.3754955
P 3
1 0.4370805 -0.3481692
2 0.2353408 0.6290324
3 0.1039542 0.6662833
D 3
1 25.57886692 0.2197679508
2 7.802369707 0.6555473627
3 3.010396794 0.2865732590
YTTRIUM
S 3
1 3266.0268690 0.1543289673
2 594.9108710 0.5353281423
3 161.0060990 0.4446345422
S 3
1 277.9377240 -0.0999672
2 64.5867500 0.3995128
3 21.0056160 0.7001155
P 3
1 277.9377240 0.1559163
2 64.5867500 0.6076837
3 21.0056160 0.3919574
S 3
1 30.6713260 -0.2277635
2 8.5572220 0.2175436
3 3.3492390 0.9166770
P 3
1 30.6713260 0.0049515
2 8.5572220 0.5777665
3 3.3492390 0.4846460
S 3
1 2.6676880 -0.3306101
2 0.9845440 0.0576110
3 0.4347850 1.1557875
P 3
1 2.6676880 -0.1283928
2 0.9845440 0.5852048
3 0.4347850 0.5439442
S 3
1 0.2074240 -0.3842643
2 0.1116850 -0.1972567
3 0.0493330 1.3754955
P 3
1 0.2074240 -0.3481692
2 0.1116850 0.6290324
3 0.0493330 0.6662833
D 3
1 5.6600430 0.2197679508
2 1.7747150 0.6555473627
3 0.6912950 0.2865732590
D 3
1 2.1282120 0.1250662138
2 0.9625940 0.6686785577
3 0.4728610 0.3052468245
ZIRCONIUM
S 3
1 3435.3486770 0.1543289673
2 625.7530498 0.5353281423
3 169.3531958 0.4446345422
S 3
1 293.7830292 -0.0999672
2 68.2688580 0.3995128
3 22.2031514 0.7001155
P 3
1 293.7830292 0.1559163
2 68.2688580 0.6076837
3 22.2031514 0.3919574
S 3
1 30.7329310 -0.2277635
2 9.3745235 0.2175436
3 3.6169826 0.9166770
P 3
1 30.7329310 0.0049515
2 9.3745235 0.5777665
3 3.6169826 0.4846460
S 3
1 2.8276078 -0.3306101
2 1.1010558 0.0576110
3 0.4846875 1.1557875
P 3
1 2.8276078 -0.1283928
2 1.1010558 0.5852048
3 0.4846875 0.5439442
S 3
1 0.8878302 -0.3842643
2 0.3457165 -0.1972567
3 0.1521852 1.3754955
P 3
1 0.8878302 -0.3481692
2 0.3457165 0.6290324
3 0.1521852 0.6662833
D 3
1 30.73293103 0.2197679508
2 9.374523538 0.6555473627
3 3.616982618 0.2865732590
D 3
1 0.4869939919 0.1250662138
2 0.2622161565 0.6686785577
3 0.1158254875 0.3052468245
NIOBIUM
S 3
1 3610.7428640 0.1543289673
2 657.7013201 0.5353281423
3 177.9996445 0.4446345422
S 3
1 310.0675728 -0.0999672
2 72.0530357 0.3995128
3 23.4338835 0.7001155
P 3
1 310.0675728 0.1559163
2 72.0530357 0.6076837
3 23.4338835 0.3919574
S 3
1 33.0199786 -0.2277635
2 10.0721459 0.2175436
3 3.8861470 0.9166770
P 3
1 33.0199786 0.0049515
2 10.0721459 0.5777665
3 3.8861470 0.4846460
S 3
1 3.1447984 -0.3306101
2 1.2245682 0.0576110
3 0.5390579 1.1557875
P 3
1 3.1447984 -0.1283928
2 1.2245682 0.5852048
3 0.5390579 0.5439442
S 3
1 0.4869940 -0.3842643
2 0.2622162 -0.1972567
3 0.1158255 1.3754955
P 3
1 0.4869940 -0.3481692
2 0.2622162 0.6290324
3 0.1158255 0.6662833
D 3
1 33.01997858 0.2197679508
2 10.07214594 0.6555473627
3 3.886147028 0.2865732590
D 3
1 1.344878866 0.1250662138
2 0.5236888594 0.6686785577
3 0.2305291251 0.3052468245
MOLYBDENUM
S 3
1 3788.6661150 0.1543289673
2 690.1102623 0.5353281423
3 186.7707691 0.4446345422
S 3
1 326.4309567 -0.0999672
2 75.8555342 0.3995128
3 24.6705740 0.7001155
P 3
1 326.4309567 0.1559163
2 75.8555342 0.6076837
3 24.6705740 0.3919574
S 3
1 35.4694813 -0.2277635
2 10.8193223 0.2175436
3 4.1744309 0.9166770
P 3
1 35.4694813 0.0049515
2 10.8193223 0.5777665
3 4.1744309 0.4846460
S 3
1 3.4968952 -0.3306101
2 1.3616729 0.0576110
3 0.5994117 1.1557875
P 3
1 3.4968952 -0.1283928
2 1.3616729 0.5852048
3 0.5994117 0.5439442
S 3
1 0.5129625 -0.3842643
2 0.2761986 -0.1972567
3 0.1220018 1.3754955
P 3
1 0.5129625 -0.3481692
2 0.2761986 0.6290324
3 0.1220018 0.6662833
D 3
1 35.46948129 0.2197679508
2 10.81932234 0.6555473627
3 4.174430912 0.2865732590
D 3
1 1.702112315 0.1250662138
2 0.6627937127 0.6686785577
3 0.2917634240 0.3052468245
TECHNETIUM
S 3
1 3970.8682570 0.1543289673
2 723.2986098 0.5353281423
3 195.7528311 0.4446345422
S 3
1 343.5846323 -0.0999672
2 79.8416795 0.3995128
3 25.9669922 0.7001155
P 3
1 343.5846323 0.1559163
2 79.8416795 0.6076837
3 25.9669922 0.3919574
S 3
1 38.0899198 -0.2277635
2 11.6186396 0.2175436
3 4.4828324 0.9166770
P 3
1 38.0899198 0.0049515
2 11.6186396 0.5777665
3 4.4828324 0.4846460
S 3
1 3.8297527 -0.3306101
2 1.4912859 0.0576110
3 0.6564677 1.1557875
P 3
1 3.8297527 -0.1283928
2 1.4912859 0.5852048
3 0.6564677 0.5439442
S 3
1 0.4617000 -0.3842643
2 0.2485969 -0.1972567
3 0.1098096 1.3754955
P 3
1 0.4617000 -0.3481692
2 0.2485969 0.6290324
3 0.1098096 0.6662833
D 3
1 38.08991983 0.2197679508
2 11.61863962 0.6555473627
3 4.482832367 0.2865732590
D 3
1 2.101373228 0.1250662138
2 0.8182638428 0.6686785577
3 0.3602017580 0.3052468245
RUTHENIUM
S 3
1 4159.2742100 0.1543289673
2 757.6169894 0.5353281423
3 205.0407239 0.4446345422
S 3
1 360.7986561 -0.0999672
2 83.8418484 0.3995128
3 27.2679713 0.7001155
P 3
1 360.7986561 0.1559163
2 83.8418484 0.6076837
3 27.2679713 0.3919574
S 3
1 40.7175168 -0.2277635
2 12.4201404 0.2175436
3 4.7920763 0.9166770
P 3
1 40.7175168 0.0049515
2 12.4201404 0.5777665
3 4.7920763 0.4846460
S 3
1 4.1975164 -0.3306101
2 1.6344911 0.0576110
3 0.7195070 1.1557875
P 3
1 4.1975164 -0.1283928
2 1.6344911 0.5852048
3 0.7195070 0.5439442
S 3
1 0.4131355 -0.3842643
2 0.2224479 -0.1972567
3 0.0982592 1.3754955
P 3
1 0.4131355 -0.3481692
2 0.2224479 0.6290324
3 0.0982592 0.6662833
D 3
1 40.71751678 0.2197679508
2 12.42014044 0.6555473627
3 4.792076302 0.2865732590
D 3
1 2.390895761 0.1250662138
2 0.9310024167 0.6686785577
3 0.4098295558 0.3052468245
RHODIUM
S 3
1 4350.0777940 0.1543289673
2 792.3721005 0.5353281423
3 214.4468133 0.4446345422
S 3
1 378.4334264 -0.0999672
2 87.9397898 0.3995128
3 28.6007490 0.7001155
P 3
1 378.4334264 0.1559163
2 87.9397898 0.6076837
3 28.6007490 0.3919574
S 3
1 43.5217946 -0.2277635
2 13.2755345 0.2175436
3 5.1221139 0.9166770
P 3
1 43.5217946 0.0049515
2 13.2755345 0.5777665
3 5.1221139 0.4846460
S 3
1 4.5408574 -0.3306101
2 1.7681863 0.0576110
3 0.7783600 1.1557875
P 3
1 4.5408574 -0.1283928
2 1.7681863 0.5852048
3 0.7783600 0.5439442
S 3
1 0.4131355 -0.3842643
2 0.2224479 -0.1972567
3 0.0982592 1.3754955
P 3
1 0.4131355 -0.3481692
2 0.2224479 0.6290324
3 0.0982592 0.6662833
D 3
1 43.52179455 0.2197679508
2 13.27553454 0.6555473627
3 5.122113939 0.2865732590
D 3
1 2.779066094 0.1250662138
2 1.082153932 0.6686785577
3 0.4763668250 0.3052468245
PALLADIUM
S 3
1 4545.1602690 0.1543289673
2 827.9066168 0.5353281423
3 224.0638402 0.4446345422
S 3
1 396.4889433 -0.0999672
2 92.1355037 0.3995128
3 29.9653254 0.7001155
P 3
1 396.4889433 0.1559163
2 92.1355037 0.6076837
3 29.9653254 0.3919574
S 3
1 46.4194510 -0.2277635
2 14.1594121 0.2175436
3 5.4631414 0.9166770
P 3
1 46.4194510 0.0049515
2 14.1594121 0.5777665
3 5.4631414 0.4846460
S 3
1 4.9191046 -0.3306101
2 1.9154738 0.0576110
3 0.8431963 1.1557875
P 3
1 4.9191046 -0.1283928
2 1.9154738 0.5852048
3 0.8431963 0.5439442
S 3
1 0.4370805 -0.3842643
2 0.2353408 -0.1972567
3 0.1039542 1.3754955
P 3
1 0.4370805 -0.3481692
2 0.2353408 0.6290324
3 0.1039542 0.6662833
D 3
1 46.41945097 0.2197679508
2 14.15941211 0.6555473627
3 5.463141383 0.2865732590
D 3
1 3.025977448 0.1250662138
2 1.178299934 0.6686785577
3 0.5186905316 0.3052468245
SILVER
S 3
1 4744.5216340 0.1543289673
2 864.2205383 0.5353281423
3 233.8918045 0.4446345422
S 3
1 414.9652069 -0.0999672
2 96.4289900 0.3995128
3 31.3617003 0.7001155
P 3
1 414.9652069 0.1559163
2 96.4289900 0.6076837
3 31.3617003 0.3919574
S 3
1 49.4104861 -0.2277635
2 15.0717731 0.2175436
3 5.8151586 0.9166770
P 3
1 49.4104861 0.0049515
2 15.0717731 0.5777665
3 5.8151586 0.4846460
S 3
1 5.2902305 -0.3306101
2 2.0599883 0.0576110
3 0.9068119 1.1557875
P 3
1 5.2902305 -0.1283928
2 2.0599883 0.5852048
3 0.9068119 0.5439442
S 3
1 0.4370805 -0.3842643
2 0.2353408 -0.1972567
3 0.1039542 1.3754955
P 3
1 0.4370805 -0.3481692
2 0.2353408 0.6290324
3 0.1039542 0.6662833
D 3
1 49.41048605 0.2197679508
2 15.07177314 0.6555473627
3 5.815158634 0.2865732590
D 3
1 3.283395668 0.1250662138
2 1.278537254 0.6686785577
3 0.5628152469 0.3052468245
CADMIUM
S 3
1 4950.2619050 0.1543289673
2 901.6963856 0.5353281423
3 244.0342313 0.4446345422
S 3
1 433.4469385 -0.0999672
2 100.7237469 0.3995128
3 32.7584886 0.7001155
P 3
1 433.4469385 0.1559163
2 100.7237469 0.6076837
3 32.7584886 0.3919574
S 3
1 52.5927924 -0.2277635
2 16.0424780 0.2175436
3 6.1896867 0.9166770
P 3
1 52.5927924 0.0049515
2 16.0424780 0.5777665
3 6.1896867 0.4846460
S 3
1 5.6748518 -0.3306101
2 2.2097579 0.0576110
3 0.9727409 1.1557875
P 3
1 5.6748518 -0.1283928
2 2.2097579 0.5852048
3 0.9727409 0.5439442
S 3
1 0.5949151 -0.3842643
2 0.3203250 -0.1972567
3 0.1414932 1.3754955
P 3
1 0.5949151 -0.3481692
2 0.3203250 0.6290324
3 0.1414932 0.6662833
D 3
1 52.59279235 0.2197679508
2 16.04247800 0.6555473627
3 6.189686744 0.2865732590
D 3
1 3.642963976 0.1250662138
2 1.418551290 0.6686785577
3 0.6244497700 0.3052468245
INDIUM
S 3
1 5158.2247140 0.1543289673
2 939.5770707 0.5353281423
3 254.2862231 0.4446345422
S 3
1 452.3313223 -0.0999672
2 105.1120716 0.3995128
3 34.1857080 0.7001155
P 3
1 452.3313223 0.1559163
2 105.1120716 0.6076837
3 34.1857080 0.3919574
S 3
1 55.9753977 -0.2277635
2 17.0742804 0.2175436
3 6.5877882 0.9166770
P 3
1 55.9753977 0.0049515
2 17.0742804 0.5777665
3 6.5877882 0.4846460
S 3
1 5.0485492 -0.3306101
2 1.9658789 0.0576110
3 0.8653847 1.1155787
P 3
1 5.0485492 -0.1283928
2 1.9658789 0.5852048
3 0.8653847 0.5439442
S 3
1 0.5669231 -0.3842643
2 0.3052530 -0.1972567
3 0.1348356 1.3754955
P 3
1 0.5669231 -0.3481692
2 0.3052530 0.6290324
3 0.1348356 0.6662833
D 3
1 55.97539769 0.2197679508
2 17.07428044 0.6555473627
3 6.587788204 0.2865732590
D 3
1 5.048549180 0.1250662138
2 1.965878882 0.6686785577
3 0.8653847237 0.3052468245
TIN
S 3
1 5370.4664130 0.1543289673
2 978.2371611 0.5353281423
3 264.7491522 0.4446345422
S 3
1 472.0515322 -0.0999672
2 109.6946243 0.3995128
3 35.6760964 0.7001155
P 3
1 472.0515322 0.1559163
2 109.6946243 0.6076837
3 35.6760964 0.3919574
S 3
1 59.1514119 -0.2277635
2 18.0430660 0.2175436
3 6.9615758 0.9166770
P 3
1 59.1514119 0.0049515
2 18.0430660 0.5777665
3 6.9615758 0.4846460
S 3
1 5.5831385 -0.3306101
2 2.1740452 0.0576110
3 0.9570201 1.1155787
P 3
1 5.5831385 -0.1283928
2 2.1740452 0.5852048
3 0.9570201 0.5439442
S 3
1 0.6235816 -0.3842643
2 0.3357602 -0.1972567
3 0.1483112 1.3754955
P 3
1 0.6235816 -0.3481692
2 0.3357602 0.6290324
3 0.1483112 0.6662833
D 3
1 59.15141188 0.2197679508
2 18.04306600 0.6555473627
3 6.961575790 0.2865732590
D 3
1 5.583138529 0.1250662138
2 2.174045204 0.6686785577
3 0.9570200509 0.3052468245
ANTIMONY
S 3
1 5586.9870020 0.1543289673
2 1017.6766570 0.5353281423
3 275.4230189 0.4446345422
S 3
1 492.1924888 -0.0999672
2 114.3749494 0.3995128
3 37.1982834 0.7001155
P 3
1 492.1924888 0.1559163
2 114.3749494 0.6076837
3 37.1982834 0.3919574
S 3
1 62.5217977 -0.2277635
2 19.0711411 0.2175436
3 7.3582391 0.9166770
P 3
1 62.5217977 0.0049515
2 19.0711411 0.5777665
3 7.3582391 0.4846460
S 3
1 6.1206931 -0.3306101
2 2.3833662 0.0576110
3 1.0491637 1.1155787
P 3
1 6.1206931 -0.1283928
2 2.3833662 0.5852048
3 1.0491637 0.5439442
S 3
1 0.6529227 -0.3842643
2 0.3515585 -0.1972567
3 0.1552896 1.3754955
P 3
1 0.6529227 -0.3481692
2 0.3515585 0.6290324
3 0.1552896 0.6662833
D 3
1 62.52179775 0.2197679508
2 19.07114112 0.6555473627
3 7.358239131 0.2865732590
D 3
1 6.120693149 0.1250662138
2 2.383366187 0.6686785577
3 1.049163663 0.3052468245
TELLURIUM
S 3
1 5810.0615910 0.1543289673
2 1058.3099720 0.5353281423
3 286.4199797 0.4446345422
S 3
1 512.7541920 -0.0999672
2 119.1530471 0.3995128
3 38.7522690 0.7001155
P 3
1 512.7541920 0.1559163
2 119.1530471 0.6076837
3 38.7522690 0.3919574
S 3
1 65.9855623 -0.2277635
2 20.1276997 0.2175436
3 7.7658923 0.9166770
P 3
1 65.9855623 0.0049515
2 20.1276997 0.5777665
3 7.7658923 0.4846460
S 3
1 6.7079569 -0.3306101
2 2.6120437 0.0576110
3 1.1498280 1.1155787
P 3
1 6.7079569 -0.1283928
2 2.6120437 0.5852048
3 1.1498280 0.5439442
S 3
1 0.7012713 -0.3842643
2 0.3775913 -0.1972567
3 0.1667887 1.3754955
P 3
1 0.7012713 -0.3481692
2 0.3775913 0.6290324
3 0.1667887 0.6662833
D 3
1 65.98556227 0.2197679508
2 20.12769970 0.6555473627
3 7.765892279 0.2865732590
D 3
1 6.707956921 0.1250662138
2 2.612043655 0.6686785577
3 1.149828048 0.3052468245
IODINE
S 3
1 6035.1836230 0.1543289673
2 1099.3162310 0.5353281423
3 297.5178737 0.4446345422
S 3
1 533.7366418 -0.0999672
2 124.0289171 0.3995128
3 40.3380533 0.7001155
P 3
1 533.7366418 0.1559163
2 124.0289171 0.6076837
3 40.3380533 0.3919574
S 3
1 69.5427054 -0.2277635
2 21.2127417 0.2175436
3 8.1845352 0.9166770
P 3
1 69.5427054 0.0049515
2 21.2127417 0.5777665
3 8.1845352 0.4846460
S 3
1 7.2959912 -0.3306101
2 2.8410212 0.0576110
3 1.2506245 1.1155787
P 3
1 7.2959912 -0.1283928
2 2.8410212 0.5852048
3 1.2506245 0.5439442
S 3
1 0.7900365 -0.3842643
2 0.4253858 -0.1972567
3 0.1879004 1.3754955
P 3
1 0.7900365 -0.3481692
2 0.4253858 0.6290324
3 0.1879004 0.6662833
D 3
1 69.54270545 0.2197679508
2 21.21274175 0.6555473627
3 8.184535234 0.2865732590
D 3
1 7.295991196 0.1250662138
2 2.841021154 0.6686785577
3 1.250624506 0.3052468245