mirror of
https://github.com/QuantumPackage/qp2.git
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1334 lines
43 KiB
Plaintext
1334 lines
43 KiB
Plaintext
!----------------------------------------------------------------------
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! Basis Set Exchange
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! Version 2.1.0+44.g1191679.dirty
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! https://www.basissetexchange.org
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!----------------------------------------------------------------------
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! Basis set: STO-2G
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! Description: STO-2G Minimal Basis (2 functions/AO)
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! Role: orbital
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! Version: 1 (Data from Gaussian09)
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!----------------------------------------------------------------------
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$DATA
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HYDROGEN
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S 2
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1 0.1309756377E+01 0.4301284983E+00
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2 0.2331359749E+00 0.6789135305E+00
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HELIUM
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S 2
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1 0.2432879285E+01 0.4301284983E+00
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2 0.4330512863E+00 0.6789135305E+00
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LITHIUM
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S 2
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1 0.6163845031E+01 0.4301284983E+00
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2 0.1097161308E+01 0.6789135305E+00
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S 2
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1 0.2459163220E+00 0.4947176920E-01
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2 0.6237087296E-01 0.9637824081E+00
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P 2
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1 0.2459163220E+00 0.5115407076E+00
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2 0.6237087296E-01 0.6128198961E+00
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BERYLLIUM
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S 2
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1 0.1153566907E+02 0.4301284983E+00
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2 0.2053343279E+01 0.6789135305E+00
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S 2
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1 0.5081630247E+00 0.4947176920E-01
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2 0.1288835617E+00 0.9637824081E+00
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P 2
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1 0.5081630247E+00 0.5115407076E+00
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2 0.1288835617E+00 0.6128198961E+00
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BORON
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S 2
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1 0.1865687310E+02 0.4301284983E+00
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2 0.3320914006E+01 0.6789135305E+00
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S 2
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1 0.8645495695E+00 0.4947176920E-01
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2 0.2192726003E+00 0.9637824081E+00
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P 2
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1 0.8645495695E+00 0.5115407076E+00
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2 0.2192726003E+00 0.6128198961E+00
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CARBON
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S 2
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1 0.2738503303E+02 0.4301284983E+00
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2 0.4874522075E+01 0.6789135305E+00
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S 2
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1 0.1136748198E+01 0.4947176920E-01
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2 0.2883093603E+00 0.9637824081E+00
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P 2
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1 0.1136748198E+01 0.5115407076E+00
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2 0.2883093603E+00 0.6128198961E+00
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NITROGEN
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S 2
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1 0.3789647534E+02 0.4301284983E+00
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2 0.6745553507E+01 0.6789135305E+00
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S 2
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1 0.1461088772E+01 0.4947176920E-01
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2 0.3705706944E+00 0.9637824081E+00
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P 2
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1 0.1461088772E+01 0.5115407076E+00
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2 0.3705706944E+00 0.6128198961E+00
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OXYGEN
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S 2
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1 0.4998097117E+02 0.4301284983E+00
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2 0.8896587673E+01 0.6789135305E+00
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S 2
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1 0.1945236531E+01 0.4947176920E-01
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2 0.4933633506E+00 0.9637824081E+00
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P 2
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1 0.1945236531E+01 0.5115407076E+00
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2 0.4933633506E+00 0.6128198961E+00
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FLUORINE
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S 2
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1 0.6373520195E+02 0.4301284983E+00
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2 0.1134483382E+02 0.6789135305E+00
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S 2
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1 0.2498548256E+01 0.4947176920E-01
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2 0.6336978147E+00 0.9637824081E+00
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P 2
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1 0.2498548256E+01 0.5115407076E+00
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2 0.6336978147E+00 0.6128198961E+00
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NEON
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S 2
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1 0.7915916767E+02 0.4301284983E+00
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2 0.1409029194E+02 0.6789135305E+00
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S 2
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1 0.3187075533E+01 0.4947176920E-01
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2 0.8083265136E+00 0.9637824081E+00
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P 2
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1 0.3187075533E+01 0.5115407076E+00
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2 0.8083265136E+00 0.6128198961E+00
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SODIUM
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S 2
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1 0.9589101577E+02 0.4301284983E+00
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2 0.1706855247E+02 0.6789135305E+00
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S 2
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1 0.4653351603E+01 0.4947176920E-01
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2 0.1180212844E+01 0.9637824081E+00
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S 2
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1 0.5940607959E+00 -0.2983986045E+00
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2 0.2038163303E+00 0.1227982887E+01
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P 2
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1 0.4653351603E+01 0.5115407076E+00
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2 0.1180212844E+01 0.6128198961E+00
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P 2
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1 0.5940607959E+00 0.3480471912E+00
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2 0.2038163303E+00 0.7222523221E+00
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MAGNESIUM
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S 2
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1 0.1144231826E+03 0.4301284983E+00
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2 0.2036726882E+02 0.6789135305E+00
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S 2
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1 0.5844355090E+01 0.4947176920E-01
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2 0.1482282778E+01 0.9637824081E+00
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S 2
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1 0.5605994123E+00 -0.2983986045E+00
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2 0.1923360636E+00 0.1227982887E+01
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P 2
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1 0.5844355090E+01 0.5115407076E+00
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2 0.1482282778E+01 0.6128198961E+00
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P 2
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1 0.5605994123E+00 0.3480471912E+00
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2 0.1923360636E+00 0.7222523221E+00
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ALUMINUM
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S 2
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1 0.1343774607E+03 0.4301284983E+00
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2 0.2391912027E+02 0.6789135305E+00
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S 2
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1 0.7304329554E+01 0.4947176920E-01
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2 0.1852570854E+01 0.9637824081E+00
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S 2
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1 0.5605994123E+00 -0.2983986045E+00
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2 0.1923360636E+00 0.1227982887E+01
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P 2
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1 0.7304329554E+01 0.5115407076E+00
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2 0.1852570854E+01 0.6128198961E+00
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P 2
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1 0.5605994123E+00 0.3480471912E+00
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2 0.1923360636E+00 0.7222523221E+00
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SILICON
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S 2
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1 0.1559346912E+03 0.4301284983E+00
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2 0.2775629642E+02 0.6789135305E+00
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S 2
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1 0.8963995756E+01 0.4947176920E-01
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2 0.2273506028E+01 0.9637824081E+00
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S 2
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1 0.5940607959E+00 -0.2983986045E+00
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2 0.2038163303E+00 0.1227982887E+01
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P 2
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1 0.8963995756E+01 0.5115407076E+00
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2 0.2273506028E+01 0.6128198961E+00
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P 2
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1 0.5940607959E+00 0.3480471912E+00
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2 0.2038163303E+00 0.7222523221E+00
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PHOSPHORUS
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S 2
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1 0.1790948740E+03 0.4301284983E+00
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2 0.3187879729E+02 0.6789135305E+00
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S 2
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1 0.1083418938E+02 0.4947176920E-01
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2 0.2747836517E+01 0.9637824081E+00
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S 2
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1 0.7002643178E+00 -0.2983986045E+00
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2 0.2402536988E+00 0.1227982887E+01
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P 2
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1 0.1083418938E+02 0.5115407076E+00
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2 0.2747836517E+01 0.6128198961E+00
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P 2
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1 0.7002643178E+00 0.3480471912E+00
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2 0.2402536988E+00 0.7222523221E+00
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SULFUR
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S 2
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1 0.2038580092E+03 0.4301284983E+00
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2 0.3628662287E+02 0.6789135305E+00
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S 2
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1 0.1288144277E+02 0.4947176920E-01
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2 0.3267074035E+01 0.9637824081E+00
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S 2
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1 0.8151968963E+00 -0.2983986045E+00
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2 0.2796859194E+00 0.1227982887E+01
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P 2
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1 0.1288144277E+02 0.5115407076E+00
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2 0.3267074035E+01 0.6128198961E+00
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P 2
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1 0.8151968963E+00 0.3480471912E+00
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2 0.2796859194E+00 0.7222523221E+00
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CHLORINE
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S 2
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1 0.2299441039E+03 0.4301284983E+00
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2 0.4092993459E+02 0.6789135305E+00
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S 2
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1 0.1505761009E+02 0.4947176920E-01
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2 0.3819007533E+01 0.9637824081E+00
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S 2
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1 0.8554475461E+00 -0.2983986045E+00
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2 0.2934955157E+00 0.1227982887E+01
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P 2
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1 0.1505761009E+02 0.5115407076E+00
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2 0.3819007533E+01 0.6128198961E+00
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P 2
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1 0.8554475461E+00 0.3480471912E+00
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2 0.2934955157E+00 0.7222523221E+00
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ARGON
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S 2
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1 0.2578966186E+03 0.4301284983E+00
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2 0.4590546810E+02 0.6789135305E+00
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S 2
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1 0.1745529423E+02 0.4947176920E-01
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2 0.4427123544E+01 0.9637824081E+00
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S 2
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1 0.1053092785E+01 -0.2983986045E+00
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2 0.3613056247E+00 0.1227982887E+01
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P 2
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1 0.1745529423E+02 0.5115407076E+00
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2 0.4427123544E+01 0.6128198961E+00
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P 2
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1 0.1053092785E+01 0.3480471912E+00
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2 0.3613056247E+00 0.7222523221E+00
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POTASSIUM
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S 2
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1 0.2950121465E+03 0.4301284983E+00
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2 0.5251201337E+02 0.6789135305E+00
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S 2
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1 0.2025259239E+02 0.4947176920E-01
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2 0.5136592224E+01 0.9637824081E+00
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S 2
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1 0.1466966455E+01 -0.2983986045E+00
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2 0.5033015504E+00 0.1227982887E+01
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S 2
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1 0.2540481415E+00 -0.6615603018E+00
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2 0.1022398201E+00 0.1510754134E+01
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P 2
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1 0.2025259239E+02 0.5115407076E+00
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2 0.5136592224E+01 0.6128198961E+00
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P 2
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1 0.1466966455E+01 0.3480471912E+00
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2 0.5033015504E+00 0.7222523221E+00
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P 2
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1 0.2540481415E+00 0.1309890515E+00
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2 0.1022398201E+00 0.8946431268E+00
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CALCIUM
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S 2
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1 0.3265671727E+03 0.4301284983E+00
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2 0.5812879211E+02 0.6789135305E+00
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S 2
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1 0.2301915102E+02 0.4947176920E-01
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2 0.5838264545E+01 0.9637824081E+00
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S 2
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1 0.1757469459E+01 -0.2983986045E+00
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2 0.6029702317E+00 0.1227982887E+01
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S 2
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1 0.2297850469E+00 -0.6615603018E+00
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2 0.9247531480E-01 0.1510754134E+01
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P 2
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1 0.2301915102E+02 0.5115407076E+00
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2 0.5838264545E+01 0.6128198961E+00
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P 2
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1 0.1757469459E+01 0.3480471912E+00
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2 0.6029702317E+00 0.7222523221E+00
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P 2
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1 0.2297850469E+00 0.1309890515E+00
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2 0.9247531480E-01 0.8946431268E+00
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SCANDIUM
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S 2
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1 0.3600753338E+03 0.4301284983E+00
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2 0.6409322790E+02 0.6789135305E+00
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S 2
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1 0.2596276939E+02 0.4947176920E-01
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2 0.6584843895E+01 0.9637824081E+00
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S 2
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1 0.2304020490E+01 -0.3121716957E+00
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2 0.7126038359E+00 0.1225398422E+01
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S 2
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1 0.3180415875E+00 -0.6615603018E+00
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2 0.1279935153E+00 0.1510754134E+01
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P 2
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1 0.2596276939E+02 0.5115407076E+00
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2 0.6584843895E+01 0.6128198961E+00
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P 2
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1 0.2304020490E+01 0.2940025217E+00
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2 0.7126038359E+00 0.7800415894E+00
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P 2
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1 0.3180415875E+00 0.1309890515E+00
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2 0.1279935153E+00 0.8946431268E+00
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D 2
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1 0.2705587866E+00 0.6006042500E+00
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2 0.8368034486E-01 0.5292040571E+00
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TITANIUM
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S 2
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1 0.3952196682E+03 0.4301284983E+00
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2 0.7034890171E+02 0.6789135305E+00
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S 2
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1 0.2908344752E+02 0.4947176920E-01
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2 0.7376330272E+01 0.9637824081E+00
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S 2
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1 0.2646020213E+01 -0.3121716957E+00
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2 0.8183799412E+00 0.1225398422E+01
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S 2
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1 0.3590391358E+00 -0.6615603018E+00
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2 0.1444926794E+00 0.1510754134E+01
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P 2
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1 0.2908344752E+02 0.5115407076E+00
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2 0.7376330272E+01 0.6128198961E+00
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P 2
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1 0.2646020213E+01 0.2940025217E+00
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2 0.8183799412E+00 0.7800415894E+00
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P 2
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1 0.3590391358E+00 0.1309890515E+00
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2 0.1444926794E+00 0.8946431268E+00
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D 2
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1 0.8072043138E+00 0.6006042500E+00
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2 0.2496578884E+00 0.5292040571E+00
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VANADIUM
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S 2
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1 0.4323839202E+03 0.4301284983E+00
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2 0.7696411984E+02 0.6789135305E+00
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S 2
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1 0.3238118539E+02 0.4947176920E-01
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2 0.8212723679E+01 0.9637824081E+00
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S 2
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1 0.3011677059E+01 -0.3121716957E+00
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2 0.9314728900E+00 0.1225398422E+01
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S 2
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1 0.3590391358E+00 -0.6615603018E+00
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2 0.1444926794E+00 0.1510754134E+01
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P 2
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1 0.3238118539E+02 0.5115407076E+00
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2 0.8212723679E+01 0.6128198961E+00
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P 2
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1 0.3011677059E+01 0.2940025217E+00
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2 0.9314728900E+00 0.7800415894E+00
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P 2
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1 0.3590391358E+00 0.1309890515E+00
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2 0.1444926794E+00 0.8946431268E+00
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D 2
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1 0.1453973975E+01 0.6006042500E+00
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2 0.4496954070E+00 0.5292040571E+00
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CHROMIUM
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S 2
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1 0.4712179072E+03 0.4301284983E+00
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2 0.8387654994E+02 0.6789135305E+00
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S 2
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|
1 0.3585598302E+02 0.4947176920E-01
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2 0.9094024114E+01 0.9637824081E+00
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S 2
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|
1 0.3383572409E+01 -0.3121716957E+00
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2 0.1046495328E+01 0.1225398422E+01
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S 2
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1 0.3804696725E+00 -0.6615603018E+00
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2 0.1531172424E+00 0.1510754134E+01
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P 2
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|
1 0.3585598302E+02 0.5115407076E+00
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2 0.9094024114E+01 0.6128198961E+00
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P 2
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|
1 0.3383572409E+01 0.2940025217E+00
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2 0.1046495328E+01 0.7800415894E+00
|
|
P 2
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|
1 0.3804696725E+00 0.1309890515E+00
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2 0.1531172424E+00 0.8946431268E+00
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D 2
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|
1 0.2080060424E+01 0.6006042500E+00
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2 0.6433358744E+00 0.5292040571E+00
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|
MANGANESE
|
|
S 2
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|
1 0.5113041528E+03 0.4301284983E+00
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2 0.9101188144E+02 0.6789135305E+00
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|
S 2
|
|
1 0.3942995410E+02 0.4947176920E-01
|
|
2 0.1000047755E+02 0.9637824081E+00
|
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S 2
|
|
1 0.3777112463E+01 -0.3121716957E+00
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|
2 0.1168212193E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.3382297742E+00 -0.6615603018E+00
|
|
2 0.1361181037E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.3942995410E+02 0.5115407076E+00
|
|
2 0.1000047755E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.3777112463E+01 0.2940025217E+00
|
|
2 0.1168212193E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.3382297742E+00 0.1309890515E+00
|
|
2 0.1361181037E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.2661426411E+01 0.6006042500E+00
|
|
2 0.8231448799E+00 0.5292040571E+00
|
|
|
|
IRON
|
|
S 2
|
|
1 0.5534607436E+03 0.4301284983E+00
|
|
2 0.9851573336E+02 0.6789135305E+00
|
|
S 2
|
|
1 0.4325518248E+02 0.4947176920E-01
|
|
2 0.1097065648E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.4192297219E+01 -0.3121716957E+00
|
|
2 0.1296623486E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2984745757E+00 -0.6615603018E+00
|
|
2 0.1201189143E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.4325518248E+02 0.5115407076E+00
|
|
2 0.1097065648E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.4192297219E+01 0.2940025217E+00
|
|
2 0.1296623486E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2984745757E+00 0.1309890515E+00
|
|
2 0.1201189143E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.3144407386E+01 0.6006042500E+00
|
|
2 0.9725246691E+00 0.5292040571E+00
|
|
|
|
COBALT
|
|
S 2
|
|
1 0.5968360314E+03 0.4301284983E+00
|
|
2 0.1062365128E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.4725747062E+02 0.4947176920E-01
|
|
2 0.1198574244E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.4629126678E+01 -0.3121716957E+00
|
|
2 0.1431729206E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2984745757E+00 -0.6615603018E+00
|
|
2 0.1201189143E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.4725747062E+02 0.5115407076E+00
|
|
2 0.1198574244E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.4629126678E+01 0.2940025217E+00
|
|
2 0.1431729206E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2984745757E+00 0.1309890515E+00
|
|
2 0.1201189143E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.3758754713E+01 0.6006042500E+00
|
|
2 0.1162534378E+01 0.5292040571E+00
|
|
|
|
NICKEL
|
|
S 2
|
|
1 0.6423152261E+03 0.4301284983E+00
|
|
2 0.1143317865E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.5134794282E+02 0.4947176920E-01
|
|
2 0.1302319420E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.5066291540E+01 -0.3121716957E+00
|
|
2 0.1566938663E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.3180415875E+00 -0.6615603018E+00
|
|
2 0.1279935153E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.5134794282E+02 0.5115407076E+00
|
|
2 0.1302319420E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.5066291540E+01 0.2940025217E+00
|
|
2 0.1566938663E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.3180415875E+00 0.1309890515E+00
|
|
2 0.1279935153E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.4231114579E+01 0.6006042500E+00
|
|
2 0.1308629195E+01 0.5292040571E+00
|
|
|
|
COPPER
|
|
S 2
|
|
1 0.6889795561E+03 0.4301284983E+00
|
|
2 0.1226380137E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.5570066172E+02 0.4947176920E-01
|
|
2 0.1412715865E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.5545426555E+01 -0.3121716957E+00
|
|
2 0.1715128946E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.3180415875E+00 -0.6615603018E+00
|
|
2 0.1279935153E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.5570066172E+02 0.5115407076E+00
|
|
2 0.1412715865E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.5545426555E+01 0.2940025217E+00
|
|
2 0.1715128946E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.3180415875E+00 0.1309890515E+00
|
|
2 0.1279935153E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.4731424731E+01 0.6006042500E+00
|
|
2 0.1463368675E+01 0.5292040571E+00
|
|
|
|
ZINC
|
|
S 2
|
|
1 0.7377813547E+03 0.4301284983E+00
|
|
2 0.1313247092E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.6023044037E+02 0.4947176920E-01
|
|
2 0.1527603013E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.6022973994E+01 -0.3121716957E+00
|
|
2 0.1862828213E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.4484883323E+00 -0.6615603018E+00
|
|
2 0.1804908555E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.6023044037E+02 0.5115407076E+00
|
|
2 0.1527603013E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.6022973994E+01 0.2940025217E+00
|
|
2 0.1862828213E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.4484883323E+00 0.1309890515E+00
|
|
2 0.1804908555E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.5368691295E+01 0.6006042500E+00
|
|
2 0.1660467008E+01 0.5292040571E+00
|
|
|
|
GALLIUM
|
|
S 2
|
|
1 0.7882528883E+03 0.4301284983E+00
|
|
2 0.1403086168E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.6483741369E+02 0.4947176920E-01
|
|
2 0.1644448022E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.6186539078E+01 -0.3121716957E+00
|
|
2 0.1913416785E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.4025213841E+00 -0.6615603018E+00
|
|
2 0.1619917928E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.6483741369E+02 0.5115407076E+00
|
|
2 0.1644448022E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.6186539078E+01 0.2940025217E+00
|
|
2 0.1913416785E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.4025213841E+00 0.1309890515E+00
|
|
2 0.1619917928E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.6186539078E+01 0.6006042500E+00
|
|
2 0.1913416785E+01 0.5292040571E+00
|
|
|
|
GERMANIUM
|
|
S 2
|
|
1 0.8398591295E+03 0.4301284983E+00
|
|
2 0.1494945017E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.6971762310E+02 0.4947176920E-01
|
|
2 0.1768223019E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.6962170747E+01 -0.3121716957E+00
|
|
2 0.2153309661E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.4969399804E+00 -0.6615603018E+00
|
|
2 0.1999898676E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.6971762310E+02 0.5115407076E+00
|
|
2 0.1768223019E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.6962170747E+01 0.2940025217E+00
|
|
2 0.2153309661E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.4969399804E+00 0.1309890515E+00
|
|
2 0.1999898676E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.6962170747E+01 0.6006042500E+00
|
|
2 0.2153309661E+01 0.5292040571E+00
|
|
|
|
ARSENIC
|
|
S 2
|
|
1 0.8936532669E+03 0.4301284983E+00
|
|
2 0.1590698310E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.7466772654E+02 0.4947176920E-01
|
|
2 0.1893770714E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.7783596167E+01 -0.3121716957E+00
|
|
2 0.2407365954E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.5583617620E+00 -0.6615603018E+00
|
|
2 0.2247086153E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.7466772654E+02 0.5115407076E+00
|
|
2 0.1893770714E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.7783596167E+01 0.2940025217E+00
|
|
2 0.2407365954E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.5583617620E+00 0.1309890515E+00
|
|
2 0.2247086153E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.7783596167E+01 0.6006042500E+00
|
|
2 0.2407365954E+01 0.5292040571E+00
|
|
|
|
SELENIUM
|
|
S 2
|
|
1 0.9485485503E+03 0.4301284983E+00
|
|
2 0.1688411638E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.7967688832E+02 0.4947176920E-01
|
|
2 0.2020816284E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.8650815339E+01 -0.3121716957E+00
|
|
2 0.2675585664E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.6122797499E+00 -0.6615603018E+00
|
|
2 0.2464075159E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.7967688832E+02 0.5115407076E+00
|
|
2 0.2020816284E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.8650815339E+01 0.2940025217E+00
|
|
2 0.2675585664E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.6122797499E+00 0.1309890515E+00
|
|
2 0.2464075159E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.8650815339E+01 0.6006042500E+00
|
|
2 0.2675585664E+01 0.5292040571E+00
|
|
|
|
BROMINE
|
|
S 2
|
|
1 0.1005665292E+04 0.4301284983E+00
|
|
2 0.1790079149E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.8496289809E+02 0.4947176920E-01
|
|
2 0.2154883450E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.9563828263E+01 -0.3121716957E+00
|
|
2 0.2957968792E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.7037167062E+00 -0.6615603018E+00
|
|
2 0.2832056516E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.8496289809E+02 0.5115407076E+00
|
|
2 0.2154883450E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.9563828263E+01 0.2940025217E+00
|
|
2 0.2957968792E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.7037167062E+00 0.1309890515E+00
|
|
2 0.2832056516E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.9563828263E+01 0.6006042500E+00
|
|
2 0.2957968792E+01 0.5292040571E+00
|
|
|
|
KRYPTON
|
|
S 2
|
|
1 0.1063849617E+04 0.4301284983E+00
|
|
2 0.1893646956E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.9041866696E+02 0.4947176920E-01
|
|
2 0.2293256155E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1052263494E+02 -0.3121716957E+00
|
|
2 0.3254515336E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.8015144944E+00 -0.6615603018E+00
|
|
2 0.3225636575E+00 0.1510754134E+01
|
|
P 2
|
|
1 0.9041866696E+02 0.5115407076E+00
|
|
2 0.2293256155E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1052263494E+02 0.2940025217E+00
|
|
2 0.3254515336E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.8015144944E+00 0.1309890515E+00
|
|
2 0.3225636575E+00 0.8946431268E+00
|
|
D 2
|
|
1 0.1052263494E+02 0.6006042500E+00
|
|
2 0.3254515336E+01 0.5292040571E+00
|
|
|
|
RUBIDIUM
|
|
S 2
|
|
1 0.1123670116E+04 0.4301284983E+00
|
|
2 0.2000127142E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.9604419495E+02 0.4947176920E-01
|
|
2 0.2435934400E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1152723537E+02 -0.3121716957E+00
|
|
2 0.3565225298E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.1133072849E+01 -0.6615603018E+00
|
|
2 0.4559968972E+00 0.1510754134E+01
|
|
S 2
|
|
1 0.2932880790E+00 -0.1093689793E+01
|
|
2 0.1418858329E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.9604419495E+02 0.5115407076E+00
|
|
2 0.2435934400E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1152723537E+02 0.2940025217E+00
|
|
2 0.3565225298E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.1133072849E+01 0.1309890515E+00
|
|
2 0.4559968972E+00 0.8946431268E+00
|
|
P 2
|
|
1 0.2932880790E+00 -0.1047403535E+00
|
|
2 0.1418858329E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1152723537E+02 0.6006042500E+00
|
|
2 0.3565225298E+01 0.5292040571E+00
|
|
|
|
STRONTIUM
|
|
S 2
|
|
1 0.1185762330E+04 0.4301284983E+00
|
|
2 0.2110650970E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1018394821E+03 0.4947176920E-01
|
|
2 0.2582918184E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1254411156E+02 -0.3121716957E+00
|
|
2 0.3879731996E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.1240560967E+01 -0.6615603018E+00
|
|
2 0.4992547056E+00 0.1510754134E+01
|
|
S 2
|
|
1 0.2632280820E+00 -0.1093689793E+01
|
|
2 0.1273435176E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1018394821E+03 0.5115407076E+00
|
|
2 0.2582918184E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1254411156E+02 0.2940025217E+00
|
|
2 0.3879731996E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.1240560967E+01 0.1309890515E+00
|
|
2 0.4992547056E+00 0.8946431268E+00
|
|
P 2
|
|
1 0.2632280820E+00 -0.1047403535E+00
|
|
2 0.1273435176E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1254411156E+02 0.6006042500E+00
|
|
2 0.3879731996E+01 0.5292040571E+00
|
|
|
|
YTTRIUM
|
|
S 2
|
|
1 0.1248871871E+04 0.4301284983E+00
|
|
2 0.2222985635E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1074187086E+03 0.4947176920E-01
|
|
2 0.2724422102E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1420341953E+02 -0.3121716957E+00
|
|
2 0.4392934560E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.1363959411E+01 -0.6561972118E+00
|
|
2 0.5421803645E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.2632280820E+00 -0.1093689793E+01
|
|
2 0.1273435176E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1074187086E+03 0.5115407076E+00
|
|
2 0.2724422102E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1420341953E+02 0.2940025217E+00
|
|
2 0.4392934560E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.1363959411E+01 0.1270081424E+00
|
|
2 0.5421803645E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.2632280820E+00 -0.1047403535E+00
|
|
2 0.1273435176E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1420341953E+02 0.6006042500E+00
|
|
2 0.4392934560E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.2469822384E+00 0.5432745552E+00
|
|
2 0.9817661648E-01 0.5420870304E+00
|
|
|
|
ZIRCONIUM
|
|
S 2
|
|
1 0.1313617586E+04 0.4301284983E+00
|
|
2 0.2338232681E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1135426782E+03 0.4947176920E-01
|
|
2 0.2879742143E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1507171199E+02 -0.3121716957E+00
|
|
2 0.4661486225E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.1526047806E+01 -0.6561972118E+00
|
|
2 0.6066112736E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.2932880790E+00 -0.1093689793E+01
|
|
2 0.1418858329E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1135426782E+03 0.5115407076E+00
|
|
2 0.2879742143E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1507171199E+02 0.2940025217E+00
|
|
2 0.4661486225E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.1526047806E+01 0.1270081424E+00
|
|
2 0.6066112736E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.2932880790E+00 -0.1047403535E+00
|
|
2 0.1418858329E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1507171199E+02 0.6006042500E+00
|
|
2 0.4661486225E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.4791581435E+00 0.5432745552E+00
|
|
2 0.1904676450E+00 0.5420870304E+00
|
|
|
|
NIOBIUM
|
|
S 2
|
|
1 0.1380685273E+04 0.4301284983E+00
|
|
2 0.2457612825E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1198364070E+03 0.4947176920E-01
|
|
2 0.3039367723E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1619330114E+02 -0.3121716957E+00
|
|
2 0.5008379291E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.1697234219E+01 -0.6561972118E+00
|
|
2 0.6746586886E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.2932880790E+00 -0.1093689793E+01
|
|
2 0.1418858329E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1198364070E+03 0.5115407076E+00
|
|
2 0.3039367723E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1619330114E+02 0.2940025217E+00
|
|
2 0.5008379291E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.1697234219E+01 0.1270081424E+00
|
|
2 0.6746586886E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.2932880790E+00 -0.1047403535E+00
|
|
2 0.1418858329E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1619330114E+02 0.6006042500E+00
|
|
2 0.5008379291E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.7258253535E+00 0.5432745552E+00
|
|
2 0.2885190362E+00 0.5420870304E+00
|
|
|
|
MOLYBDENUM
|
|
S 2
|
|
1 0.1448720029E+04 0.4301284983E+00
|
|
2 0.2578714349E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1261606063E+03 0.4947176920E-01
|
|
2 0.3199766117E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1739455980E+02 -0.3121716957E+00
|
|
2 0.5379913107E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.1887259329E+01 -0.6561972118E+00
|
|
2 0.7501945752E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.3089274017E+00 -0.1093689793E+01
|
|
2 0.1494517672E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1261606063E+03 0.5115407076E+00
|
|
2 0.3199766117E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1739455980E+02 0.2940025217E+00
|
|
2 0.5379913107E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.1887259329E+01 0.1270081424E+00
|
|
2 0.7501945752E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.3089274017E+00 -0.1047403535E+00
|
|
2 0.1494517672E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1739455980E+02 0.6006042500E+00
|
|
2 0.5379913107E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.9186227131E+00 0.5432745552E+00
|
|
2 0.3651569052E+00 0.5420870304E+00
|
|
|
|
TECHNETIUM
|
|
S 2
|
|
1 0.1518390959E+04 0.4301284983E+00
|
|
2 0.2702728253E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1327902414E+03 0.4947176920E-01
|
|
2 0.3367911169E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1867964695E+02 -0.3121716957E+00
|
|
2 0.5777373998E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2066901104E+01 -0.6561972118E+00
|
|
2 0.8216030367E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.2780549724E+00 -0.1093689793E+01
|
|
2 0.1345164164E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1327902414E+03 0.5115407076E+00
|
|
2 0.3367911169E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1867964695E+02 0.2940025217E+00
|
|
2 0.5777373998E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2066901104E+01 0.1270081424E+00
|
|
2 0.8216030367E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.2780549724E+00 -0.1047403535E+00
|
|
2 0.1345164164E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1867964695E+02 0.6006042500E+00
|
|
2 0.5777373998E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.1134102115E+01 0.5432745552E+00
|
|
2 0.4508109941E+00 0.5420870304E+00
|
|
|
|
RUTHENIUM
|
|
S 2
|
|
1 0.1590434119E+04 0.4301284983E+00
|
|
2 0.2830964715E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1394432001E+03 0.4947176920E-01
|
|
2 0.3536647769E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.1996824466E+02 -0.3121716957E+00
|
|
2 0.6175920658E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2265381576E+01 -0.6561972118E+00
|
|
2 0.9004999696E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.2488074077E+00 -0.1093689793E+01
|
|
2 0.1203671366E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1394432001E+03 0.5115407076E+00
|
|
2 0.3536647769E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.1996824466E+02 0.2940025217E+00
|
|
2 0.6175920658E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2265381576E+01 0.1270081424E+00
|
|
2 0.9004999696E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.2488074077E+00 -0.1047403535E+00
|
|
2 0.1203671366E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.1996824466E+02 0.6006042500E+00
|
|
2 0.6175920658E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.1290356184E+01 0.5432745552E+00
|
|
2 0.5129227310E+00 0.5420870304E+00
|
|
|
|
RHODIUM
|
|
S 2
|
|
1 0.1663394091E+04 0.4301284983E+00
|
|
2 0.2960833097E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1462587709E+03 0.4947176920E-01
|
|
2 0.3709508644E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.2134348827E+02 -0.3121716957E+00
|
|
2 0.6601265777E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2450681260E+01 -0.6561972118E+00
|
|
2 0.9741574770E+00 0.1503538305E+01
|
|
S 2
|
|
1 0.2488074077E+00 -0.1093689793E+01
|
|
2 0.1203671366E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1462587709E+03 0.5115407076E+00
|
|
2 0.3709508644E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.2134348827E+02 0.2940025217E+00
|
|
2 0.6601265777E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2450681260E+01 0.1270081424E+00
|
|
2 0.9741574770E+00 0.8985325121E+00
|
|
P 2
|
|
1 0.2488074077E+00 -0.1047403535E+00
|
|
2 0.1203671366E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.2134348827E+02 0.6006042500E+00
|
|
2 0.6601265777E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.1499850047E+01 0.5432745552E+00
|
|
2 0.5961975396E+00 0.5420870304E+00
|
|
|
|
PALLADIUM
|
|
S 2
|
|
1 0.1737990237E+04 0.4301284983E+00
|
|
2 0.3093613860E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1532369540E+03 0.4947176920E-01
|
|
2 0.3886493792E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.2276452562E+02 -0.3121716957E+00
|
|
2 0.7040774312E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2654819641E+01 -0.6561972118E+00
|
|
2 0.1055303456E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.2632280820E+00 -0.1093689793E+01
|
|
2 0.1273435176E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1532369540E+03 0.5115407076E+00
|
|
2 0.3886493792E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.2276452562E+02 0.2940025217E+00
|
|
2 0.7040774312E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2654819641E+01 0.1270081424E+00
|
|
2 0.1055303456E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.2632280820E+00 -0.1047403535E+00
|
|
2 0.1273435176E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.2276452562E+02 0.6006042500E+00
|
|
2 0.7040774312E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.1633107045E+01 0.5432745552E+00
|
|
2 0.6491678314E+00 0.5420870304E+00
|
|
|
|
SILVER
|
|
S 2
|
|
1 0.1814222555E+04 0.4301284983E+00
|
|
2 0.3229307003E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1603777492E+03 0.4947176920E-01
|
|
2 0.4067603215E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.2423135673E+02 -0.3121716957E+00
|
|
2 0.7494446264E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2855114675E+01 -0.6561972118E+00
|
|
2 0.1134921687E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.2632280820E+00 -0.1093689793E+01
|
|
2 0.1273435176E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1603777492E+03 0.5115407076E+00
|
|
2 0.4067603215E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.2423135673E+02 0.2940025217E+00
|
|
2 0.7494446264E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2855114675E+01 0.1270081424E+00
|
|
2 0.1134921687E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.2632280820E+00 -0.1047403535E+00
|
|
2 0.1273435176E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.2423135673E+02 0.6006042500E+00
|
|
2 0.7494446264E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.1772034555E+01 0.5432745552E+00
|
|
2 0.7043921782E+00 0.5420870304E+00
|
|
|
|
CADMIUM
|
|
S 2
|
|
1 0.1892894057E+04 0.4301284983E+00
|
|
2 0.3369341879E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1675206577E+03 0.4947176920E-01
|
|
2 0.4248766237E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.2579198901E+02 -0.3121716957E+00
|
|
2 0.7977129708E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.3062693166E+01 -0.6561972118E+00
|
|
2 0.1217435125E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.3582826671E+00 -0.1093689793E+01
|
|
2 0.1733286768E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1675206577E+03 0.5115407076E+00
|
|
2 0.4248766237E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.2579198901E+02 0.2940025217E+00
|
|
2 0.7977129708E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.3062693166E+01 0.1270081424E+00
|
|
2 0.1217435125E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.3582826671E+00 -0.1047403535E+00
|
|
2 0.1733286768E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.2579198901E+02 0.6006042500E+00
|
|
2 0.7977129708E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.1966092028E+01 0.5432745552E+00
|
|
2 0.7815309483E+00 0.5420870304E+00
|
|
|
|
INDIUM
|
|
S 2
|
|
1 0.1972415418E+04 0.4301284983E+00
|
|
2 0.3510889501E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1748191852E+03 0.4947176920E-01
|
|
2 0.4433876166E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.2745084977E+02 -0.3121716957E+00
|
|
2 0.8490193958E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.2724680331E+01 -0.6561972118E+00
|
|
2 0.1083073413E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.3414246958E+00 -0.1093689793E+01
|
|
2 0.1651731891E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1748191852E+03 0.5115407076E+00
|
|
2 0.4433876166E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.2745084977E+02 0.2940025217E+00
|
|
2 0.8490193958E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.2724680331E+01 0.1270081424E+00
|
|
2 0.1083073413E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.3414246958E+00 -0.1047403535E+00
|
|
2 0.1651731891E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.2745084977E+02 0.6006042500E+00
|
|
2 0.8490193958E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.2724680331E+01 0.5432745552E+00
|
|
2 0.1083073413E+01 0.5420870304E+00
|
|
|
|
TIN
|
|
S 2
|
|
1 0.2053572952E+04 0.4301284983E+00
|
|
2 0.3655349503E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1824407468E+03 0.4947176920E-01
|
|
2 0.4627179094E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.2900839633E+02 -0.3121716957E+00
|
|
2 0.8971923031E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.3013195909E+01 -0.6561972118E+00
|
|
2 0.1197759730E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.3755468546E+00 -0.1093689793E+01
|
|
2 0.1816806822E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1824407468E+03 0.5115407076E+00
|
|
2 0.4627179094E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.2900839633E+02 0.2940025217E+00
|
|
2 0.8971923031E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.3013195909E+01 0.1270081424E+00
|
|
2 0.1197759730E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.3755468546E+00 -0.1047403535E+00
|
|
2 0.1816806822E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.2900839633E+02 0.6006042500E+00
|
|
2 0.8971923031E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.3013195909E+01 0.5432745552E+00
|
|
2 0.1197759730E+01 0.5420870304E+00
|
|
|
|
ANTIMONY
|
|
S 2
|
|
1 0.2136366660E+04 0.4301284983E+00
|
|
2 0.3802721885E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1902249206E+03 0.4947176920E-01
|
|
2 0.4824606296E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.3066126456E+02 -0.3121716957E+00
|
|
2 0.9483133865E+01 0.1225398422E+01
|
|
S 2
|
|
1 0.3303311831E+01 -0.6561972118E+00
|
|
2 0.1313082191E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.3932172582E+00 -0.1093689793E+01
|
|
2 0.1902292053E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1902249206E+03 0.5115407076E+00
|
|
2 0.4824606296E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.3066126456E+02 0.2940025217E+00
|
|
2 0.9483133865E+01 0.7800415894E+00
|
|
P 2
|
|
1 0.3303311831E+01 0.1270081424E+00
|
|
2 0.1313082191E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.3932172582E+00 -0.1047403535E+00
|
|
2 0.1902292053E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.3066126456E+02 0.6006042500E+00
|
|
2 0.9483133865E+01 0.5292040571E+00
|
|
D 2
|
|
1 0.3303311831E+01 0.5432745552E+00
|
|
2 0.1313082191E+01 0.5420870304E+00
|
|
|
|
TELLURIUM
|
|
S 2
|
|
1 0.2221666503E+04 0.4301284983E+00
|
|
2 0.3954555176E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.1981717065E+03 0.4947176920E-01
|
|
2 0.5026157772E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.3235992653E+02 -0.3121716957E+00
|
|
2 0.1000850812E+02 0.1225398422E+01
|
|
S 2
|
|
1 0.3620255569E+01 -0.6561972118E+00
|
|
2 0.1439068837E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.4223348337E+00 -0.1093689793E+01
|
|
2 0.2043155994E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.1981717065E+03 0.5115407076E+00
|
|
2 0.5026157772E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.3235992653E+02 0.2940025217E+00
|
|
2 0.1000850812E+02 0.7800415894E+00
|
|
P 2
|
|
1 0.3620255569E+01 0.1270081424E+00
|
|
2 0.1439068837E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.4223348337E+00 -0.1047403535E+00
|
|
2 0.2043155994E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.3235992653E+02 0.6006042500E+00
|
|
2 0.1000850812E+02 0.5292040571E+00
|
|
D 2
|
|
1 0.3620255569E+01 0.5432745552E+00
|
|
2 0.1439068837E+01 0.5420870304E+00
|
|
|
|
IODINE
|
|
S 2
|
|
1 0.2307749253E+04 0.4301284983E+00
|
|
2 0.4107782036E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.2062811046E+03 0.4947176920E-01
|
|
2 0.5231833522E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.3410438226E+02 -0.3121716957E+00
|
|
2 0.1054804578E+02 0.1225398422E+01
|
|
S 2
|
|
1 0.3937615144E+01 -0.6561972118E+00
|
|
2 0.1565220780E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.4757928824E+00 -0.1093689793E+01
|
|
2 0.2301773384E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.2062811046E+03 0.5115407076E+00
|
|
2 0.5231833522E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.3410438226E+02 0.2940025217E+00
|
|
2 0.1054804578E+02 0.7800415894E+00
|
|
P 2
|
|
1 0.3937615144E+01 0.1270081424E+00
|
|
2 0.1565220780E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.4757928824E+00 -0.1047403535E+00
|
|
2 0.2301773384E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.3410438226E+02 0.6006042500E+00
|
|
2 0.1054804578E+02 0.5292040571E+00
|
|
D 2
|
|
1 0.3937615144E+01 0.5432745552E+00
|
|
2 0.1565220780E+01 0.5420870304E+00
|
|
|
|
XENON
|
|
S 2
|
|
1 0.2395468176E+04 0.4301284983E+00
|
|
2 0.4263921277E+03 0.6789135305E+00
|
|
S 2
|
|
1 0.2145531149E+03 0.4947176920E-01
|
|
2 0.5441633546E+02 0.9637824081E+00
|
|
S 2
|
|
1 0.3583799327E+02 -0.3121716957E+00
|
|
2 0.1108422932E+02 0.1225398422E+01
|
|
S 2
|
|
1 0.4268306720E+01 -0.6561972118E+00
|
|
2 0.1696672257E+01 0.1503538305E+01
|
|
S 2
|
|
1 0.5366034440E+00 -0.1093689793E+01
|
|
2 0.2595960492E+00 0.1881374657E+01
|
|
P 2
|
|
1 0.2145531149E+03 0.5115407076E+00
|
|
2 0.5441633546E+02 0.6128198961E+00
|
|
P 2
|
|
1 0.3583799327E+02 0.2940025217E+00
|
|
2 0.1108422932E+02 0.7800415894E+00
|
|
P 2
|
|
1 0.4268306720E+01 0.1270081424E+00
|
|
2 0.1696672257E+01 0.8985325121E+00
|
|
P 2
|
|
1 0.5366034440E+00 -0.1047403535E+00
|
|
2 0.2595960492E+00 0.1087626793E+01
|
|
D 2
|
|
1 0.3583799327E+02 0.6006042500E+00
|
|
2 0.1108422932E+02 0.5292040571E+00
|
|
D 2
|
|
1 0.4268306720E+01 0.5432745552E+00
|
|
2 0.1696672257E+01 0.5420870304E+00
|
|
$END |