mirror of
https://github.com/QuantumPackage/qp2.git
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2950 lines
122 KiB
Plaintext
2950 lines
122 KiB
Plaintext
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!----------------------------------------------------------------------
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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-6G
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! Description: STO-6G Minimal Basis (6 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 6
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1 0.3552322122E+02 0.9163596281E-02
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2 0.6513143725E+01 0.4936149294E-01
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3 0.1822142904E+01 0.1685383049E+00
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4 0.6259552659E+00 0.3705627997E+00
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5 0.2430767471E+00 0.4164915298E+00
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6 0.1001124280E+00 0.1303340841E+00
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HELIUM
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S 6
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1 0.6598456824E+02 0.9163596281E-02
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2 0.1209819836E+02 0.4936149294E-01
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3 0.3384639924E+01 0.1685383049E+00
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4 0.1162715163E+01 0.3705627997E+00
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5 0.4515163224E+00 0.4164915298E+00
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6 0.1859593559E+00 0.1303340841E+00
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LITHIUM
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S 6
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1 0.1671758462E+03 0.9163596281E-02
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2 0.3065150840E+02 0.4936149294E-01
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3 0.8575187477E+01 0.1685383049E+00
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4 0.2945808337E+01 0.3705627997E+00
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5 0.1143943581E+01 0.4164915298E+00
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6 0.4711391391E+00 0.1303340841E+00
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S 6
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1 0.6597563981E+01 -0.1325278809E-01
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2 0.1305830092E+01 -0.4699171014E-01
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3 0.4058510193E+00 -0.3378537151E-01
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4 0.1561455158E+00 0.2502417861E+00
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5 0.6781410394E-01 0.5951172526E+00
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6 0.3108416550E-01 0.2407061763E+00
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P 6
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1 0.6597563981E+01 0.3759696623E-02
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2 0.1305830092E+01 0.3767936984E-01
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3 0.4058510193E+00 0.1738967435E+00
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4 0.1561455158E+00 0.4180364347E+00
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5 0.6781410394E-01 0.4258595477E+00
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6 0.3108416550E-01 0.1017082955E+00
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BERYLLIUM
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S 6
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1 0.3128704937E+03 0.9163596281E-02
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2 0.5736446253E+02 0.4936149294E-01
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3 0.1604850940E+02 0.1685383049E+00
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4 0.5513096119E+01 0.3705627997E+00
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5 0.2140896553E+01 0.4164915298E+00
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6 0.8817394283E+00 0.1303340841E+00
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S 6
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1 0.1363324744E+02 -0.1325278809E-01
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2 0.2698375464E+01 -0.4699171014E-01
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3 0.8386530829E+00 -0.3378537151E-01
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4 0.3226600698E+00 0.2502417861E+00
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5 0.1401314882E+00 0.5951172526E+00
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6 0.6423251387E-01 0.2407061763E+00
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P 6
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1 0.1363324744E+02 0.3759696623E-02
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2 0.2698375464E+01 0.3767936984E-01
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3 0.8386530829E+00 0.1738967435E+00
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4 0.3226600698E+00 0.4180364347E+00
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5 0.1401314882E+00 0.4258595477E+00
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6 0.6423251387E-01 0.1017082955E+00
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BORON
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S 6
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1 0.5060118369E+03 0.9163596281E-02
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2 0.9277671639E+02 0.4936149294E-01
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3 0.2595558190E+02 0.1685383049E+00
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4 0.8916442908E+01 0.3705627997E+00
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5 0.3462515703E+01 0.4164915298E+00
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6 0.1426055179E+01 0.1303340841E+00
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S 6
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1 0.2319456087E+02 -0.1325278809E-01
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2 0.4590808918E+01 -0.4699171014E-01
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3 0.1426819990E+01 -0.3378537151E-01
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4 0.5489490791E+00 0.2502417861E+00
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5 0.2384089591E+00 0.5951172526E+00
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6 0.1092802694E+00 0.2407061763E+00
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P 6
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1 0.2319456087E+02 0.3759696623E-02
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2 0.4590808918E+01 0.3767936984E-01
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3 0.1426819990E+01 0.1738967435E+00
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4 0.5489490791E+00 0.4180364347E+00
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5 0.2384089591E+00 0.4258595477E+00
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6 0.1092802694E+00 0.1017082955E+00
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CARBON
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S 6
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1 0.7427370491E+03 0.9163596281E-02
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2 0.1361800249E+03 0.4936149294E-01
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3 0.3809826352E+02 0.1685383049E+00
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4 0.1308778177E+02 0.3705627997E+00
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5 0.5082368648E+01 0.4164915298E+00
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6 0.2093200076E+01 0.1303340841E+00
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S 6
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1 0.3049723950E+02 -0.1325278809E-01
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2 0.6036199601E+01 -0.4699171014E-01
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3 0.1876046337E+01 -0.3378537151E-01
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4 0.7217826470E+00 0.2502417861E+00
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5 0.3134706954E+00 0.5951172526E+00
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6 0.1436865550E+00 0.2407061763E+00
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P 6
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1 0.3049723950E+02 0.3759696623E-02
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2 0.6036199601E+01 0.3767936984E-01
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3 0.1876046337E+01 0.1738967435E+00
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4 0.7217826470E+00 0.4180364347E+00
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5 0.3134706954E+00 0.4258595477E+00
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6 0.1436865550E+00 0.1017082955E+00
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NITROGEN
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S 6
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1 0.1027828458E+04 0.9163596281E-02
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2 0.1884512226E+03 0.4936149294E-01
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3 0.5272186097E+02 0.1685383049E+00
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4 0.1811138217E+02 0.3705627997E+00
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5 0.7033179691E+01 0.4164915298E+00
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6 0.2896651794E+01 0.1303340841E+00
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S 6
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1 0.3919880787E+02 -0.1325278809E-01
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2 0.7758467071E+01 -0.4699171014E-01
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3 0.2411325783E+01 -0.3378537151E-01
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4 0.9277239437E+00 0.2502417861E+00
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5 0.4029111410E+00 0.5951172526E+00
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6 0.1846836552E+00 0.2407061763E+00
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P 6
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1 0.3919880787E+02 0.3759696623E-02
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2 0.7758467071E+01 0.3767936984E-01
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3 0.2411325783E+01 0.1738967435E+00
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4 0.9277239437E+00 0.4180364347E+00
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5 0.4029111410E+00 0.4258595477E+00
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6 0.1846836552E+00 0.1017082955E+00
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OXYGEN
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S 6
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1 0.1355584234E+04 0.9163596281E-02
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2 0.2485448855E+03 0.4936149294E-01
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3 0.6953390229E+02 0.1685383049E+00
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4 0.2388677211E+02 0.3705627997E+00
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5 0.9275932609E+01 0.4164915298E+00
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6 0.3820341298E+01 0.1303340841E+00
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S 6
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1 0.5218776196E+02 -0.1325278809E-01
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2 0.1032932006E+02 -0.4699171014E-01
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3 0.3210344977E+01 -0.3378537151E-01
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4 0.1235135428E+01 0.2502417861E+00
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5 0.5364201581E+00 0.5951172526E+00
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6 0.2458806060E+00 0.2407061763E+00
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P 6
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1 0.5218776196E+02 0.3759696623E-02
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2 0.1032932006E+02 0.3767936984E-01
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3 0.3210344977E+01 0.1738967435E+00
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4 0.1235135428E+01 0.4180364347E+00
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5 0.5364201581E+00 0.4258595477E+00
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6 0.2458806060E+00 0.1017082955E+00
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FLUORINE
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S 6
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1 0.1728626574E+04 0.9163596281E-02
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2 0.3169417900E+03 0.4936149294E-01
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3 0.8866889139E+02 0.1685383049E+00
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4 0.3046015731E+02 0.3705627997E+00
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5 0.1182857044E+02 0.4164915298E+00
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6 0.4871658522E+01 0.1303340841E+00
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S 6
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1 0.6703228091E+02 -0.1325278809E-01
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2 0.1326743777E+02 -0.4699171014E-01
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3 0.4123509771E+01 -0.3378537151E-01
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4 0.1586462839E+01 0.2502417861E+00
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5 0.6890018919E+00 0.5951172526E+00
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6 0.3158199784E+00 0.2407061763E+00
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P 6
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1 0.6703228091E+02 0.3759696623E-02
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2 0.1326743777E+02 0.3767936984E-01
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3 0.4123509771E+01 0.1738967435E+00
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4 0.1586462839E+01 0.4180364347E+00
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5 0.6890018919E+00 0.4258595477E+00
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6 0.3158199784E+00 0.1017082955E+00
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NEON
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S 6
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1 0.2146955475E+04 0.9163596281E-02
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2 0.3936419362E+03 0.4936149294E-01
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3 0.1101268283E+03 0.1685383049E+00
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4 0.3783153777E+02 0.3705627997E+00
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5 0.1469109318E+02 0.4164915298E+00
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6 0.6050603466E+01 0.1303340841E+00
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S 6
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1 0.8550442919E+02 -0.1325278809E-01
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2 0.1692355799E+02 -0.4699171014E-01
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3 0.5259829210E+01 -0.3378537151E-01
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4 0.2023645885E+01 0.2502417861E+00
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5 0.8788707870E+00 0.5951172526E+00
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6 0.4028507849E+00 0.2407061763E+00
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P 6
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1 0.8550442919E+02 0.3759696623E-02
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2 0.1692355799E+02 0.3767936984E-01
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3 0.5259829210E+01 0.1738967435E+00
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4 0.2023645885E+01 0.4180364347E+00
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5 0.8788707870E+00 0.4258595477E+00
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6 0.4028507849E+00 0.1017082955E+00
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SODIUM
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S 6
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1 0.2600756771E+04 0.9163596281E-02
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2 0.4768459071E+03 0.4936149294E-01
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3 0.1334043010E+03 0.1685383049E+00
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4 0.4582797788E+02 0.3705627997E+00
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5 0.1779634487E+02 0.4164915298E+00
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6 0.7329517596E+01 0.1303340841E+00
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S 6
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1 0.1248424044E+03 -0.1325278809E-01
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2 0.2470956992E+02 -0.4699171014E-01
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3 0.7679715913E+01 -0.3378537151E-01
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4 0.2954663523E+01 0.2502417861E+00
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5 0.1283212382E+01 0.5951172526E+00
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6 0.5881901217E+00 0.2407061763E+00
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S 6
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1 0.9433006047E+01 -0.7943126362E-02
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2 0.2526243756E+01 -0.7100264172E-01
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3 0.9473682506E+00 -0.1785026925E+00
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4 0.4240594435E+00 0.1510635058E+00
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5 0.2098454079E+00 0.7354914767E+00
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6 0.1081470943E+00 0.2760593123E+00
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P 6
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1 0.1248424044E+03 0.3759696623E-02
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2 0.2470956992E+02 0.3767936984E-01
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3 0.7679715913E+01 0.1738967435E+00
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4 0.2954663523E+01 0.4180364347E+00
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5 0.1283212382E+01 0.4258595477E+00
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||
|
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6 0.5881901217E+00 0.1017082955E+00
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||
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P 6
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||
|
|
1 0.9433006047E+01 -0.7139358907E-02
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2 0.2526243756E+01 -0.1829277070E-01
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3 0.9473682506E+00 0.7621621429E-01
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4 0.4240594435E+00 0.4145098597E+00
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5 0.2098454079E+00 0.4889621471E+00
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6 0.1081470943E+00 0.1058816521E+00
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MAGNESIUM
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S 6
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||
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1 0.3103386324E+04 0.9163596281E-02
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2 0.5690024854E+03 0.4936149294E-01
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||
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3 0.1591863906E+03 0.1685383049E+00
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||
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4 0.5468482151E+02 0.3705627997E+00
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||
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5 0.2123571643E+02 0.4164915298E+00
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6 0.8746040738E+01 0.1303340841E+00
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S 6
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||
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1 0.1567952315E+03 -0.1325278809E-01
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||
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2 0.3103386828E+02 -0.4699171014E-01
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||
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3 0.9645303131E+01 -0.3378537151E-01
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||
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4 0.3710895775E+01 0.2502417861E+00
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||
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5 0.1611644564E+01 0.5951172526E+00
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||
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6 0.7387346208E+00 0.2407061763E+00
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S 6
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||
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1 0.8901677544E+01 -0.7943126362E-02
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2 0.2383949209E+01 -0.7100264172E-01
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||
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3 0.8940062839E+00 -0.1785026925E+00
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||
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4 0.4001736462E+00 0.1510635058E+00
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||
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5 0.1980255441E+00 0.7354914767E+00
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6 0.1020555436E+00 0.2760593123E+00
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||
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P 6
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||
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1 0.1567952315E+03 0.3759696623E-02
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2 0.3103386828E+02 0.3767936984E-01
|
||
|
|
3 0.9645303131E+01 0.1738967435E+00
|
||
|
|
4 0.3710895775E+01 0.4180364347E+00
|
||
|
|
5 0.1611644564E+01 0.4258595477E+00
|
||
|
|
6 0.7387346208E+00 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.8901677544E+01 -0.7139358907E-02
|
||
|
|
2 0.2383949209E+01 -0.1829277070E-01
|
||
|
|
3 0.8940062839E+00 0.7621621429E-01
|
||
|
|
4 0.4001736462E+00 0.4145098597E+00
|
||
|
|
5 0.1980255441E+00 0.4889621471E+00
|
||
|
|
6 0.1020555436E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
ALUMINUM
|
||
|
|
S 6
|
||
|
|
1 0.3644586388E+04 0.9163596281E-02
|
||
|
|
2 0.6682309248E+03 0.4936149294E-01
|
||
|
|
3 0.1869469321E+03 0.1685383049E+00
|
||
|
|
4 0.6422131675E+02 0.3705627997E+00
|
||
|
|
5 0.2493901660E+02 0.4164915298E+00
|
||
|
|
6 0.1027126426E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1959641441E+03 -0.1325278809E-01
|
||
|
|
2 0.3878641831E+02 -0.4699171014E-01
|
||
|
|
3 0.1205478990E+02 -0.3378537151E-01
|
||
|
|
4 0.4637912184E+01 0.2502417861E+00
|
||
|
|
5 0.2014248422E+01 0.5951172526E+00
|
||
|
|
6 0.9232774259E+00 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.8901677544E+01 -0.7943126362E-02
|
||
|
|
2 0.2383949209E+01 -0.7100264172E-01
|
||
|
|
3 0.8940062839E+00 -0.1785026925E+00
|
||
|
|
4 0.4001736462E+00 0.1510635058E+00
|
||
|
|
5 0.1980255441E+00 0.7354914767E+00
|
||
|
|
6 0.1020555436E+00 0.2760593123E+00
|
||
|
|
P 6
|
||
|
|
1 0.1959641441E+03 0.3759696623E-02
|
||
|
|
2 0.3878641831E+02 0.3767936984E-01
|
||
|
|
3 0.1205478990E+02 0.1738967435E+00
|
||
|
|
4 0.4637912184E+01 0.4180364347E+00
|
||
|
|
5 0.2014248422E+01 0.4258595477E+00
|
||
|
|
6 0.9232774259E+00 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.8901677544E+01 -0.7139358907E-02
|
||
|
|
2 0.2383949209E+01 -0.1829277070E-01
|
||
|
|
3 0.8940062839E+00 0.7621621429E-01
|
||
|
|
4 0.4001736462E+00 0.4145098597E+00
|
||
|
|
5 0.1980255441E+00 0.4889621471E+00
|
||
|
|
6 0.1020555436E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
SILICON
|
||
|
|
S 6
|
||
|
|
1 0.4229261737E+04 0.9163596281E-02
|
||
|
|
2 0.7754305100E+03 0.4936149294E-01
|
||
|
|
3 0.2169375129E+03 0.1685383049E+00
|
||
|
|
4 0.7452389069E+02 0.3705627997E+00
|
||
|
|
5 0.2893980755E+02 0.4164915298E+00
|
||
|
|
6 0.1191901091E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.2404904849E+03 -0.1325278809E-01
|
||
|
|
2 0.4759934318E+02 -0.4699171014E-01
|
||
|
|
3 0.1479384038E+02 -0.3378537151E-01
|
||
|
|
4 0.5691723632E+01 0.2502417861E+00
|
||
|
|
5 0.2471919452E+01 0.5951172526E+00
|
||
|
|
6 0.1133061545E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.9433006047E+01 -0.7943126362E-02
|
||
|
|
2 0.2526243756E+01 -0.7100264172E-01
|
||
|
|
3 0.9473682506E+00 -0.1785026925E+00
|
||
|
|
4 0.4240594435E+00 0.1510635058E+00
|
||
|
|
5 0.2098454079E+00 0.7354914767E+00
|
||
|
|
6 0.1081470943E+00 0.2760593123E+00
|
||
|
|
P 6
|
||
|
|
1 0.2404904849E+03 0.3759696623E-02
|
||
|
|
2 0.4759934318E+02 0.3767936984E-01
|
||
|
|
3 0.1479384038E+02 0.1738967435E+00
|
||
|
|
4 0.5691723632E+01 0.4180364347E+00
|
||
|
|
5 0.2471919452E+01 0.4258595477E+00
|
||
|
|
6 0.1133061545E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.9433006047E+01 -0.7139358907E-02
|
||
|
|
2 0.2526243756E+01 -0.1829277070E-01
|
||
|
|
3 0.9473682506E+00 0.7621621429E-01
|
||
|
|
4 0.4240594435E+00 0.4145098597E+00
|
||
|
|
5 0.2098454079E+00 0.4889621471E+00
|
||
|
|
6 0.1081470943E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
PHOSPHORUS
|
||
|
|
S 6
|
||
|
|
1 0.4857412371E+04 0.9163596281E-02
|
||
|
|
2 0.8906012410E+03 0.4936149294E-01
|
||
|
|
3 0.2491581331E+03 0.1685383049E+00
|
||
|
|
4 0.8559254335E+02 0.3705627997E+00
|
||
|
|
5 0.3323808927E+02 0.4164915298E+00
|
||
|
|
6 0.1368928069E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.2906649590E+03 -0.1325278809E-01
|
||
|
|
2 0.5753018103E+02 -0.4699171014E-01
|
||
|
|
3 0.1788033738E+02 -0.3378537151E-01
|
||
|
|
4 0.6879210280E+01 0.2502417861E+00
|
||
|
|
5 0.2987645712E+01 0.5951172526E+00
|
||
|
|
6 0.1369456623E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.1111939652E+02 -0.7943126362E-02
|
||
|
|
2 0.2977874272E+01 -0.7100264172E-01
|
||
|
|
3 0.1116734493E+01 -0.1785026925E+00
|
||
|
|
4 0.4998708868E+00 0.1510635058E+00
|
||
|
|
5 0.2473606277E+00 0.7354914767E+00
|
||
|
|
6 0.1274811462E+00 0.2760593123E+00
|
||
|
|
P 6
|
||
|
|
1 0.2906649590E+03 0.3759696623E-02
|
||
|
|
2 0.5753018103E+02 0.3767936984E-01
|
||
|
|
3 0.1788033738E+02 0.1738967435E+00
|
||
|
|
4 0.6879210280E+01 0.4180364347E+00
|
||
|
|
5 0.2987645712E+01 0.4258595477E+00
|
||
|
|
6 0.1369456623E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.1111939652E+02 -0.7139358907E-02
|
||
|
|
2 0.2977874272E+01 -0.1829277070E-01
|
||
|
|
3 0.1116734493E+01 0.7621621429E-01
|
||
|
|
4 0.4998708868E+00 0.4145098597E+00
|
||
|
|
5 0.2473606277E+00 0.4889621471E+00
|
||
|
|
6 0.1274811462E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
SULFUR
|
||
|
|
S 6
|
||
|
|
1 0.5529038289E+04 0.9163596281E-02
|
||
|
|
2 0.1013743118E+04 0.4936149294E-01
|
||
|
|
3 0.2836087927E+03 0.1685383049E+00
|
||
|
|
4 0.9742727471E+02 0.3705627997E+00
|
||
|
|
5 0.3783386178E+02 0.4164915298E+00
|
||
|
|
6 0.1558207360E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.3455896791E+03 -0.1325278809E-01
|
||
|
|
2 0.6840121655E+02 -0.4699171014E-01
|
||
|
|
3 0.2125904712E+02 -0.3378537151E-01
|
||
|
|
4 0.8179121699E+01 0.2502417861E+00
|
||
|
|
5 0.3552198128E+01 0.5951172526E+00
|
||
|
|
6 0.1628232301E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.1294439442E+02 -0.7943126362E-02
|
||
|
|
2 0.3466625105E+01 -0.7100264172E-01
|
||
|
|
3 0.1300021248E+01 -0.1785026925E+00
|
||
|
|
4 0.5819134077E+00 0.1510635058E+00
|
||
|
|
5 0.2879592903E+00 0.7354914767E+00
|
||
|
|
6 0.1484042983E+00 0.2760593123E+00
|
||
|
|
P 6
|
||
|
|
1 0.3455896791E+03 0.3759696623E-02
|
||
|
|
2 0.6840121655E+02 0.3767936984E-01
|
||
|
|
3 0.2125904712E+02 0.1738967435E+00
|
||
|
|
4 0.8179121699E+01 0.4180364347E+00
|
||
|
|
5 0.3552198128E+01 0.4258595477E+00
|
||
|
|
6 0.1628232301E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.1294439442E+02 -0.7139358907E-02
|
||
|
|
2 0.3466625105E+01 -0.1829277070E-01
|
||
|
|
3 0.1300021248E+01 0.7621621429E-01
|
||
|
|
4 0.5819134077E+00 0.4145098597E+00
|
||
|
|
5 0.2879592903E+00 0.4889621471E+00
|
||
|
|
6 0.1484042983E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
CHLORINE
|
||
|
|
S 6
|
||
|
|
1 0.6236545525E+04 0.9163596281E-02
|
||
|
|
2 0.1143463795E+04 0.4936149294E-01
|
||
|
|
3 0.3198999635E+03 0.1685383049E+00
|
||
|
|
4 0.1098942714E+03 0.3705627997E+00
|
||
|
|
5 0.4267516141E+02 0.4164915298E+00
|
||
|
|
6 0.1757598814E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.4039729660E+03 -0.1325278809E-01
|
||
|
|
2 0.7995679269E+02 -0.4699171014E-01
|
||
|
|
3 0.2485051157E+02 -0.3378537151E-01
|
||
|
|
4 0.9560887526E+01 0.2502417861E+00
|
||
|
|
5 0.4152299968E+01 0.5951172526E+00
|
||
|
|
6 0.1903302881E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.1358352871E+02 -0.7943126362E-02
|
||
|
|
2 0.3637791008E+01 -0.7100264172E-01
|
||
|
|
3 0.1364210281E+01 -0.1785026925E+00
|
||
|
|
4 0.6106455986E+00 0.1510635058E+00
|
||
|
|
5 0.3021773873E+00 0.7354914767E+00
|
||
|
|
6 0.1557318157E+00 0.2760593123E+00
|
||
|
|
P 6
|
||
|
|
1 0.4039729660E+03 0.3759696623E-02
|
||
|
|
2 0.7995679269E+02 0.3767936984E-01
|
||
|
|
3 0.2485051157E+02 0.1738967435E+00
|
||
|
|
4 0.9560887526E+01 0.4180364347E+00
|
||
|
|
5 0.4152299968E+01 0.4258595477E+00
|
||
|
|
6 0.1903302881E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.1358352871E+02 -0.7139358907E-02
|
||
|
|
2 0.3637791008E+01 -0.1829277070E-01
|
||
|
|
3 0.1364210281E+01 0.7621621429E-01
|
||
|
|
4 0.6106455986E+00 0.4145098597E+00
|
||
|
|
5 0.3021773873E+00 0.4889621471E+00
|
||
|
|
6 0.1557318157E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
ARGON
|
||
|
|
S 6
|
||
|
|
1 0.6994673814E+04 0.9163596281E-02
|
||
|
|
2 0.1282465787E+04 0.4936149294E-01
|
||
|
|
3 0.3587877117E+03 0.1685383049E+00
|
||
|
|
4 0.1232532624E+03 0.3705627997E+00
|
||
|
|
5 0.4786284856E+02 0.4164915298E+00
|
||
|
|
6 0.1971256419E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.4682992148E+03 -0.1325278809E-01
|
||
|
|
2 0.9268863609E+02 -0.4699171014E-01
|
||
|
|
3 0.2880755901E+02 -0.3378537151E-01
|
||
|
|
4 0.1108330631E+02 0.2502417861E+00
|
||
|
|
5 0.4813487481E+01 0.5951172526E+00
|
||
|
|
6 0.2206373495E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.1672190907E+02 -0.7943126362E-02
|
||
|
|
2 0.4478277461E+01 -0.7100264172E-01
|
||
|
|
3 0.1679401631E+01 -0.1785026925E+00
|
||
|
|
4 0.7517310408E+00 0.1510635058E+00
|
||
|
|
5 0.3719933828E+00 0.7354914767E+00
|
||
|
|
6 0.1917125747E+00 0.2760593123E+00
|
||
|
|
P 6
|
||
|
|
1 0.4682992148E+03 0.3759696623E-02
|
||
|
|
2 0.9268863609E+02 0.3767936984E-01
|
||
|
|
3 0.2880755901E+02 0.1738967435E+00
|
||
|
|
4 0.1108330631E+02 0.4180364347E+00
|
||
|
|
5 0.4813487481E+01 0.4258595477E+00
|
||
|
|
6 0.2206373495E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.1672190907E+02 -0.7139358907E-02
|
||
|
|
2 0.4478277461E+01 -0.1829277070E-01
|
||
|
|
3 0.1679401631E+01 0.7621621429E-01
|
||
|
|
4 0.7517310408E+00 0.4145098597E+00
|
||
|
|
5 0.3719933828E+00 0.4889621471E+00
|
||
|
|
6 0.1917125747E+00 0.1058816521E+00
|
||
|
|
|
||
|
|
POTASSIUM
|
||
|
|
S 6
|
||
|
|
1 0.8001321412E+04 0.9163596281E-02
|
||
|
|
2 0.1467033522E+04 0.4936149294E-01
|
||
|
|
3 0.4104231128E+03 0.1685383049E+00
|
||
|
|
4 0.1409914163E+03 0.3705627997E+00
|
||
|
|
5 0.5475109279E+02 0.4164915298E+00
|
||
|
|
6 0.2254952356E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.5433465051E+03 -0.1325278809E-01
|
||
|
|
2 0.1075424534E+03 -0.4699171014E-01
|
||
|
|
3 0.3342411435E+02 -0.3378537151E-01
|
||
|
|
4 0.1285946155E+02 0.2502417861E+00
|
||
|
|
5 0.5584872913E+01 0.5951172526E+00
|
||
|
|
6 0.2559955878E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.2329374963E+02 -0.7943126362E-02
|
||
|
|
2 0.6238275397E+01 -0.7100264172E-01
|
||
|
|
3 0.2339419558E+01 -0.1785026925E+00
|
||
|
|
4 0.1047167197E+01 0.1510635058E+00
|
||
|
|
5 0.5181896807E+00 0.7354914767E+00
|
||
|
|
6 0.2670571103E+00 0.2760593123E+00
|
||
|
|
S 6
|
||
|
|
1 0.2791996035E+01 0.3775056180E-02
|
||
|
|
2 0.8983681264E+00 -0.5585965266E-01
|
||
|
|
3 0.3838418398E+00 -0.3192946152E+00
|
||
|
|
4 0.1914081612E+00 -0.2764780132E-01
|
||
|
|
5 0.1033137261E+00 0.9049199432E+00
|
||
|
|
6 0.5744847995E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.5433465051E+03 0.3759696623E-02
|
||
|
|
2 0.1075424534E+03 0.3767936984E-01
|
||
|
|
3 0.3342411435E+02 0.1738967435E+00
|
||
|
|
4 0.1285946155E+02 0.4180364347E+00
|
||
|
|
5 0.5584872913E+01 0.4258595477E+00
|
||
|
|
6 0.2559955878E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.2329374963E+02 -0.7139358907E-02
|
||
|
|
2 0.6238275397E+01 -0.1829277070E-01
|
||
|
|
3 0.2339419558E+01 0.7621621429E-01
|
||
|
|
4 0.1047167197E+01 0.4145098597E+00
|
||
|
|
5 0.5181896807E+00 0.4889621471E+00
|
||
|
|
6 0.2670571103E+00 0.1058816521E+00
|
||
|
|
P 6
|
||
|
|
1 0.2791996035E+01 -0.7052075733E-02
|
||
|
|
2 0.8983681264E+00 -0.5259505547E-01
|
||
|
|
3 0.3838418398E+00 -0.3773450392E-01
|
||
|
|
4 0.1914081612E+00 0.3874773403E+00
|
||
|
|
5 0.1033137261E+00 0.5791672602E+00
|
||
|
|
6 0.5744847995E-01 0.1221817127E+00
|
||
|
|
|
||
|
|
CALCIUM
|
||
|
|
S 6
|
||
|
|
1 0.8857157042E+04 0.9163596281E-02
|
||
|
|
2 0.1623950048E+04 0.4936149294E-01
|
||
|
|
3 0.4543227021E+03 0.1685383049E+00
|
||
|
|
4 0.1560721100E+03 0.3705627997E+00
|
||
|
|
5 0.6060736746E+02 0.4164915298E+00
|
||
|
|
6 0.2496146087E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.6175690999E+03 -0.1325278809E-01
|
||
|
|
2 0.1222330419E+03 -0.4699171014E-01
|
||
|
|
3 0.3798993832E+02 -0.3378537151E-01
|
||
|
|
4 0.1461609860E+02 0.2502417861E+00
|
||
|
|
5 0.6347781583E+01 0.5951172526E+00
|
||
|
|
6 0.2909652740E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.2790660509E+02 -0.7943126362E-02
|
||
|
|
2 0.7473639527E+01 -0.7100264172E-01
|
||
|
|
3 0.2802694233E+01 -0.1785026925E+00
|
||
|
|
4 0.1254537458E+01 0.1510635058E+00
|
||
|
|
5 0.6208066547E+00 0.7354914767E+00
|
||
|
|
6 0.3199423636E+00 0.2760593123E+00
|
||
|
|
S 6
|
||
|
|
1 0.2525343962E+01 0.3775056180E-02
|
||
|
|
2 0.8125686765E+00 -0.5585965266E-01
|
||
|
|
3 0.3471826822E+00 -0.3192946152E+00
|
||
|
|
4 0.1731275539E+00 -0.2764780132E-01
|
||
|
|
5 0.9344665645E-01 0.9049199432E+00
|
||
|
|
6 0.5196181158E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.6175690999E+03 0.3759696623E-02
|
||
|
|
2 0.1222330419E+03 0.3767936984E-01
|
||
|
|
3 0.3798993832E+02 0.1738967435E+00
|
||
|
|
4 0.1461609860E+02 0.4180364347E+00
|
||
|
|
5 0.6347781583E+01 0.4258595477E+00
|
||
|
|
6 0.2909652740E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.2790660509E+02 -0.7139358907E-02
|
||
|
|
2 0.7473639527E+01 -0.1829277070E-01
|
||
|
|
3 0.2802694233E+01 0.7621621429E-01
|
||
|
|
4 0.1254537458E+01 0.4145098597E+00
|
||
|
|
5 0.6208066547E+00 0.4889621471E+00
|
||
|
|
6 0.3199423636E+00 0.1058816521E+00
|
||
|
|
P 6
|
||
|
|
1 0.2525343962E+01 -0.7052075733E-02
|
||
|
|
2 0.8125686765E+00 -0.5259505547E-01
|
||
|
|
3 0.3471826822E+00 -0.3773450392E-01
|
||
|
|
4 0.1731275539E+00 0.3874773403E+00
|
||
|
|
5 0.9344665645E-01 0.5791672602E+00
|
||
|
|
6 0.5196181158E-01 0.1221817127E+00
|
||
|
|
|
||
|
|
SCANDIUM
|
||
|
|
S 6
|
||
|
|
1 0.9765965612E+04 0.9163596281E-02
|
||
|
|
2 0.1790579105E+04 0.4936149294E-01
|
||
|
|
3 0.5009395073E+03 0.1685383049E+00
|
||
|
|
4 0.1720862408E+03 0.3705627997E+00
|
||
|
|
5 0.6682612307E+02 0.4164915298E+00
|
||
|
|
6 0.2752268785E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.6965419408E+03 -0.1325278809E-01
|
||
|
|
2 0.1378638281E+03 -0.4699171014E-01
|
||
|
|
3 0.4284797502E+02 -0.3378537151E-01
|
||
|
|
4 0.1648516043E+02 0.2502417861E+00
|
||
|
|
5 0.7159516407E+01 0.5951172526E+00
|
||
|
|
6 0.3281730201E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.2813541924E+02 -0.9737395526E-02
|
||
|
|
2 0.8101568293E+01 -0.7265876782E-01
|
||
|
|
3 0.3186549647E+01 -0.1716155198E+00
|
||
|
|
4 0.1456361493E+01 0.1289776243E+00
|
||
|
|
5 0.7247816118E+00 0.7288614510E+00
|
||
|
|
6 0.3722203375E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3495285760E+01 0.3775056180E-02
|
||
|
|
2 0.1124662528E+01 -0.5585965266E-01
|
||
|
|
3 0.4805296640E+00 -0.3192946152E+00
|
||
|
|
4 0.2396229120E+00 -0.2764780132E-01
|
||
|
|
5 0.1293379328E+00 0.9049199432E+00
|
||
|
|
6 0.7191946240E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.6965419408E+03 0.3759696623E-02
|
||
|
|
2 0.1378638281E+03 0.3767936984E-01
|
||
|
|
3 0.4284797502E+02 0.1738967435E+00
|
||
|
|
4 0.1648516043E+02 0.4180364347E+00
|
||
|
|
5 0.7159516407E+01 0.4258595477E+00
|
||
|
|
6 0.3281730201E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.2813541924E+02 -0.8104943356E-02
|
||
|
|
2 0.8101568293E+01 -0.1715478915E-01
|
||
|
|
3 0.3186549647E+01 0.7369785762E-01
|
||
|
|
4 0.1456361493E+01 0.3965149986E+00
|
||
|
|
5 0.7247816118E+00 0.4978084880E+00
|
||
|
|
6 0.3722203375E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3495285760E+01 -0.7052075733E-02
|
||
|
|
2 0.1124662528E+01 -0.5259505547E-01
|
||
|
|
3 0.4805296640E+00 -0.3773450392E-01
|
||
|
|
4 0.2396229120E+00 0.3874773403E+00
|
||
|
|
5 0.1293379328E+00 0.5791672602E+00
|
||
|
|
6 0.7191946240E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.3303913712E+01 0.6633434386E-02
|
||
|
|
2 0.9513589381E+00 0.5958177963E-01
|
||
|
|
3 0.3741932894E+00 0.2401949582E+00
|
||
|
|
4 0.1710190513E+00 0.4648114679E+00
|
||
|
|
5 0.8511036872E-01 0.3434092326E+00
|
||
|
|
6 0.4370945627E-01 0.5389056980E-01
|
||
|
|
|
||
|
|
TITANIUM
|
||
|
|
S 6
|
||
|
|
1 0.1071915049E+05 0.9163596281E-02
|
||
|
|
2 0.1965344508E+04 0.4936149294E-01
|
||
|
|
3 0.5498325692E+03 0.1685383049E+00
|
||
|
|
4 0.1888823272E+03 0.3705627997E+00
|
||
|
|
5 0.7334853490E+02 0.4164915298E+00
|
||
|
|
6 0.3020897724E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.7802650277E+03 -0.1325278809E-01
|
||
|
|
2 0.1544348120E+03 -0.4699171014E-01
|
||
|
|
3 0.4799822446E+02 -0.3378537151E-01
|
||
|
|
4 0.1846664702E+02 0.2502417861E+00
|
||
|
|
5 0.8020077386E+01 0.5951172526E+00
|
||
|
|
6 0.3676188261E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.3231173000E+02 -0.9737395526E-02
|
||
|
|
2 0.9304133165E+01 -0.7265876782E-01
|
||
|
|
3 0.3659548520E+01 -0.1716155198E+00
|
||
|
|
4 0.1672538054E+01 0.1289776243E+00
|
||
|
|
5 0.8323653382E+00 0.7288614510E+00
|
||
|
|
6 0.4274712576E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3945849940E+01 0.3775056180E-02
|
||
|
|
2 0.1269638557E+01 -0.5585965266E-01
|
||
|
|
3 0.5424729410E+00 -0.3192946152E+00
|
||
|
|
4 0.2705118030E+00 -0.2764780132E-01
|
||
|
|
5 0.1460104007E+00 0.9049199432E+00
|
||
|
|
6 0.8119033060E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.7802650277E+03 0.3759696623E-02
|
||
|
|
2 0.1544348120E+03 0.3767936984E-01
|
||
|
|
3 0.4799822446E+02 0.1738967435E+00
|
||
|
|
4 0.1846664702E+02 0.4180364347E+00
|
||
|
|
5 0.8020077386E+01 0.4258595477E+00
|
||
|
|
6 0.3676188261E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.3231173000E+02 -0.8104943356E-02
|
||
|
|
2 0.9304133165E+01 -0.1715478915E-01
|
||
|
|
3 0.3659548520E+01 0.7369785762E-01
|
||
|
|
4 0.1672538054E+01 0.3965149986E+00
|
||
|
|
5 0.8323653382E+00 0.4978084880E+00
|
||
|
|
6 0.4274712576E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3945849940E+01 -0.7052075733E-02
|
||
|
|
2 0.1269638557E+01 -0.5259505547E-01
|
||
|
|
3 0.5424729410E+00 -0.3773450392E-01
|
||
|
|
4 0.2705118030E+00 0.3874773403E+00
|
||
|
|
5 0.1460104007E+00 0.5791672602E+00
|
||
|
|
6 0.8119033060E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.9857130992E+01 0.6633434386E-02
|
||
|
|
2 0.2838351873E+01 0.5958177963E-01
|
||
|
|
3 0.1116394855E+01 0.2401949582E+00
|
||
|
|
4 0.5102303926E+00 0.4648114679E+00
|
||
|
|
5 0.2539243232E+00 0.3434092326E+00
|
||
|
|
6 0.1304058985E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
VANADIUM
|
||
|
|
S 6
|
||
|
|
1 0.1172711958E+05 0.9163596281E-02
|
||
|
|
2 0.2150154537E+04 0.4936149294E-01
|
||
|
|
3 0.6015357556E+03 0.1685383049E+00
|
||
|
|
4 0.2066437671E+03 0.3705627997E+00
|
||
|
|
5 0.8024582178E+02 0.4164915298E+00
|
||
|
|
6 0.3304966087E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.8687383606E+03 -0.1325278809E-01
|
||
|
|
2 0.1719459935E+03 -0.4699171014E-01
|
||
|
|
3 0.5344068663E+02 -0.3378537151E-01
|
||
|
|
4 0.2056055839E+02 0.2502417861E+00
|
||
|
|
5 0.8929464520E+01 0.5951172526E+00
|
||
|
|
6 0.4093026920E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.3677692843E+02 -0.9737395526E-02
|
||
|
|
2 0.1058988298E+02 -0.7265876782E-01
|
||
|
|
3 0.4165266112E+01 -0.1716155198E+00
|
||
|
|
4 0.1903668182E+01 0.1289776243E+00
|
||
|
|
5 0.9473909465E+00 0.7288614510E+00
|
||
|
|
6 0.4865440459E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3945849940E+01 0.3775056180E-02
|
||
|
|
2 0.1269638557E+01 -0.5585965266E-01
|
||
|
|
3 0.5424729410E+00 -0.3192946152E+00
|
||
|
|
4 0.2705118030E+00 -0.2764780132E-01
|
||
|
|
5 0.1460104007E+00 0.9049199432E+00
|
||
|
|
6 0.8119033060E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.8687383606E+03 0.3759696623E-02
|
||
|
|
2 0.1719459935E+03 0.3767936984E-01
|
||
|
|
3 0.5344068663E+02 0.1738967435E+00
|
||
|
|
4 0.2056055839E+02 0.4180364347E+00
|
||
|
|
5 0.8929464520E+01 0.4258595477E+00
|
||
|
|
6 0.4093026920E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.3677692843E+02 -0.8104943356E-02
|
||
|
|
2 0.1058988298E+02 -0.1715478915E-01
|
||
|
|
3 0.4165266112E+01 0.7369785762E-01
|
||
|
|
4 0.1903668182E+01 0.3965149986E+00
|
||
|
|
5 0.9473909465E+00 0.4978084880E+00
|
||
|
|
6 0.4865440459E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3945849940E+01 -0.7052075733E-02
|
||
|
|
2 0.1269638557E+01 -0.5259505547E-01
|
||
|
|
3 0.5424729410E+00 -0.3773450392E-01
|
||
|
|
4 0.2705118030E+00 0.3874773403E+00
|
||
|
|
5 0.1460104007E+00 0.5791672602E+00
|
||
|
|
6 0.8119033060E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.1775512307E+02 0.6633434386E-02
|
||
|
|
2 0.5112571484E+01 0.5958177963E-01
|
||
|
|
3 0.2010902367E+01 0.2401949582E+00
|
||
|
|
4 0.9190507280E+00 0.4648114679E+00
|
||
|
|
5 0.4573803079E+00 0.3434092326E+00
|
||
|
|
6 0.2348931731E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
CHROMIUM
|
||
|
|
S 6
|
||
|
|
1 0.1278037523E+05 0.9163596281E-02
|
||
|
|
2 0.2343267809E+04 0.4936149294E-01
|
||
|
|
3 0.6555618898E+03 0.1685383049E+00
|
||
|
|
4 0.2252032023E+03 0.3705627997E+00
|
||
|
|
5 0.8745299358E+02 0.4164915298E+00
|
||
|
|
6 0.3601797222E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.9619619397E+03 -0.1325278809E-01
|
||
|
|
2 0.1903973727E+03 -0.4699171014E-01
|
||
|
|
3 0.5917536153E+02 -0.3378537151E-01
|
||
|
|
4 0.2276689453E+02 0.2502417861E+00
|
||
|
|
5 0.9887677808E+01 0.5951172526E+00
|
||
|
|
6 0.4532246179E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.4131830800E+02 -0.9737395526E-02
|
||
|
|
2 0.1189756908E+02 -0.7265876782E-01
|
||
|
|
3 0.4679611797E+01 -0.1716155198E+00
|
||
|
|
4 0.2138741641E+01 0.1289776243E+00
|
||
|
|
5 0.1064379017E+01 0.7288614510E+00
|
||
|
|
6 0.5466246804E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.4181372125E+01 0.3775056180E-02
|
||
|
|
2 0.1345421481E+01 -0.5585965266E-01
|
||
|
|
3 0.5748523813E+00 -0.3192946152E+00
|
||
|
|
4 0.2866582688E+00 -0.2764780132E-01
|
||
|
|
5 0.1547255544E+00 0.9049199432E+00
|
||
|
|
6 0.8603646625E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.9619619397E+03 0.3759696623E-02
|
||
|
|
2 0.1903973727E+03 0.3767936984E-01
|
||
|
|
3 0.5917536153E+02 0.1738967435E+00
|
||
|
|
4 0.2276689453E+02 0.4180364347E+00
|
||
|
|
5 0.9887677808E+01 0.4258595477E+00
|
||
|
|
6 0.4532246179E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.4131830800E+02 -0.8104943356E-02
|
||
|
|
2 0.1189756908E+02 -0.1715478915E-01
|
||
|
|
3 0.4679611797E+01 0.7369785762E-01
|
||
|
|
4 0.2138741641E+01 0.3965149986E+00
|
||
|
|
5 0.1064379017E+01 0.4978084880E+00
|
||
|
|
6 0.5466246804E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.4181372125E+01 -0.7052075733E-02
|
||
|
|
2 0.1345421481E+01 -0.5259505547E-01
|
||
|
|
3 0.5748523813E+00 -0.3773450392E-01
|
||
|
|
4 0.2866582688E+00 0.3874773403E+00
|
||
|
|
5 0.1547255544E+00 0.5791672602E+00
|
||
|
|
6 0.8603646625E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.2540054323E+02 0.6633434386E-02
|
||
|
|
2 0.7314063241E+01 0.5958177963E-01
|
||
|
|
3 0.2876804194E+01 0.2401949582E+00
|
||
|
|
4 0.1314797293E+01 0.4648114679E+00
|
||
|
|
5 0.6543299215E+00 0.3434092326E+00
|
||
|
|
6 0.3360390223E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
MANGANESE
|
||
|
|
S 6
|
||
|
|
1 0.1386759465E+05 0.9163596281E-02
|
||
|
|
2 0.2542608299E+04 0.4936149294E-01
|
||
|
|
3 0.7113301755E+03 0.1685383049E+00
|
||
|
|
4 0.2443611136E+03 0.3705627997E+00
|
||
|
|
5 0.9489257116E+02 0.4164915298E+00
|
||
|
|
6 0.3908200111E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1057846193E+04 -0.1325278809E-01
|
||
|
|
2 0.2093753687E+03 -0.4699171014E-01
|
||
|
|
3 0.6507370854E+02 -0.3378537151E-01
|
||
|
|
4 0.2503620123E+02 0.2502417861E+00
|
||
|
|
5 0.1087323925E+02 0.5951172526E+00
|
||
|
|
6 0.4984001099E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.4612400067E+02 -0.9737395526E-02
|
||
|
|
2 0.1328136390E+02 -0.7265876782E-01
|
||
|
|
3 0.5223892945E+01 -0.1716155198E+00
|
||
|
|
4 0.2387496625E+01 0.1289776243E+00
|
||
|
|
5 0.1188175917E+01 0.7288614510E+00
|
||
|
|
6 0.6102020713E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3717154485E+01 0.3775056180E-02
|
||
|
|
2 0.1196052239E+01 -0.5585965266E-01
|
||
|
|
3 0.5110320352E+00 -0.3192946152E+00
|
||
|
|
4 0.2548333507E+00 -0.2764780132E-01
|
||
|
|
5 0.1375478602E+00 0.9049199432E+00
|
||
|
|
6 0.7648466265E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1057846193E+04 0.3759696623E-02
|
||
|
|
2 0.2093753687E+03 0.3767936984E-01
|
||
|
|
3 0.6507370854E+02 0.1738967435E+00
|
||
|
|
4 0.2503620123E+02 0.4180364347E+00
|
||
|
|
5 0.1087323925E+02 0.4258595477E+00
|
||
|
|
6 0.4984001099E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.4612400067E+02 -0.8104943356E-02
|
||
|
|
2 0.1328136390E+02 -0.1715478915E-01
|
||
|
|
3 0.5223892945E+01 0.7369785762E-01
|
||
|
|
4 0.2387496625E+01 0.3965149986E+00
|
||
|
|
5 0.1188175917E+01 0.4978084880E+00
|
||
|
|
6 0.6102020713E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3717154485E+01 -0.7052075733E-02
|
||
|
|
2 0.1196052239E+01 -0.5259505547E-01
|
||
|
|
3 0.5110320352E+00 -0.3773450392E-01
|
||
|
|
4 0.2548333507E+00 0.3874773403E+00
|
||
|
|
5 0.1375478602E+00 0.5791672602E+00
|
||
|
|
6 0.7648466265E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.3249986195E+02 0.6633434386E-02
|
||
|
|
2 0.9358305588E+01 0.5958177963E-01
|
||
|
|
3 0.3680855890E+01 0.2401949582E+00
|
||
|
|
4 0.1682276246E+01 0.4648114679E+00
|
||
|
|
5 0.8372117055E+00 0.3434092326E+00
|
||
|
|
6 0.4299601680E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
IRON
|
||
|
|
S 6
|
||
|
|
1 0.1501096599E+05 0.9163596281E-02
|
||
|
|
2 0.2752244183E+04 0.4936149294E-01
|
||
|
|
3 0.7699787412E+03 0.1685383049E+00
|
||
|
|
4 0.2645084788E+03 0.3705627997E+00
|
||
|
|
5 0.1027163826E+03 0.4164915298E+00
|
||
|
|
6 0.4230427873E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1160471300E+04 -0.1325278809E-01
|
||
|
|
2 0.2296875558E+03 -0.4699171014E-01
|
||
|
|
3 0.7138672115E+02 -0.3378537151E-01
|
||
|
|
4 0.2746504472E+02 0.2502417861E+00
|
||
|
|
5 0.1192808764E+02 0.5951172526E+00
|
||
|
|
6 0.5467515293E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.5119400644E+02 -0.9737395526E-02
|
||
|
|
2 0.1474126743E+02 -0.7265876782E-01
|
||
|
|
3 0.5798109557E+01 -0.1716155198E+00
|
||
|
|
4 0.2649933133E+01 0.1289776243E+00
|
||
|
|
5 0.1318781646E+01 0.7288614510E+00
|
||
|
|
6 0.6772762188E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3280243765E+01 0.3775056180E-02
|
||
|
|
2 0.1055469423E+01 -0.5585965266E-01
|
||
|
|
3 0.4509658273E+00 -0.3192946152E+00
|
||
|
|
4 0.2248804868E+00 -0.2764780132E-01
|
||
|
|
5 0.1213806186E+00 0.9049199432E+00
|
||
|
|
6 0.6749472985E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1160471300E+04 0.3759696623E-02
|
||
|
|
2 0.2296875558E+03 0.3767936984E-01
|
||
|
|
3 0.7138672115E+02 0.1738967435E+00
|
||
|
|
4 0.2746504472E+02 0.4180364347E+00
|
||
|
|
5 0.1192808764E+02 0.4258595477E+00
|
||
|
|
6 0.5467515293E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.5119400644E+02 -0.8104943356E-02
|
||
|
|
2 0.1474126743E+02 -0.1715478915E-01
|
||
|
|
3 0.5798109557E+01 0.7369785762E-01
|
||
|
|
4 0.2649933133E+01 0.3965149986E+00
|
||
|
|
5 0.1318781646E+01 0.4978084880E+00
|
||
|
|
6 0.6772762188E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3280243765E+01 -0.7052075733E-02
|
||
|
|
2 0.1055469423E+01 -0.5259505547E-01
|
||
|
|
3 0.4509658273E+00 -0.3773450392E-01
|
||
|
|
4 0.2248804868E+00 0.3874773403E+00
|
||
|
|
5 0.1213806186E+00 0.5791672602E+00
|
||
|
|
6 0.6749472985E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.3839775750E+02 0.6633434386E-02
|
||
|
|
2 0.1105659923E+02 0.5958177963E-01
|
||
|
|
3 0.4348837299E+01 0.2401949582E+00
|
||
|
|
4 0.1987566453E+01 0.4648114679E+00
|
||
|
|
5 0.9891442645E+00 0.3434092326E+00
|
||
|
|
6 0.5079869660E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
COBALT
|
||
|
|
S 6
|
||
|
|
1 0.1618739083E+05 0.9163596281E-02
|
||
|
|
2 0.2967940391E+04 0.4936149294E-01
|
||
|
|
3 0.8303227671E+03 0.1685383049E+00
|
||
|
|
4 0.2852382804E+03 0.3705627997E+00
|
||
|
|
5 0.1107663712E+03 0.4164915298E+00
|
||
|
|
6 0.4561970857E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1267846654E+04 -0.1325278809E-01
|
||
|
|
2 0.2509399405E+03 -0.4699171014E-01
|
||
|
|
3 0.7799194648E+02 -0.3378537151E-01
|
||
|
|
4 0.3000631300E+02 0.2502417861E+00
|
||
|
|
5 0.1303176218E+02 0.5951172526E+00
|
||
|
|
6 0.5973410087E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.5652832530E+02 -0.9737395526E-02
|
||
|
|
2 0.1627727968E+02 -0.7265876782E-01
|
||
|
|
3 0.6402261632E+01 -0.1716155198E+00
|
||
|
|
4 0.2926051165E+01 0.1289776243E+00
|
||
|
|
5 0.1456196206E+01 0.7288614510E+00
|
||
|
|
6 0.7478471227E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3280243765E+01 0.3775056180E-02
|
||
|
|
2 0.1055469423E+01 -0.5585965266E-01
|
||
|
|
3 0.4509658273E+00 -0.3192946152E+00
|
||
|
|
4 0.2248804868E+00 -0.2764780132E-01
|
||
|
|
5 0.1213806186E+00 0.9049199432E+00
|
||
|
|
6 0.6749472985E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1267846654E+04 0.3759696623E-02
|
||
|
|
2 0.2509399405E+03 0.3767936984E-01
|
||
|
|
3 0.7799194648E+02 0.1738967435E+00
|
||
|
|
4 0.3000631300E+02 0.4180364347E+00
|
||
|
|
5 0.1303176218E+02 0.4258595477E+00
|
||
|
|
6 0.5973410087E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.5652832530E+02 -0.8104943356E-02
|
||
|
|
2 0.1627727968E+02 -0.1715478915E-01
|
||
|
|
3 0.6402261632E+01 0.7369785762E-01
|
||
|
|
4 0.2926051165E+01 0.3965149986E+00
|
||
|
|
5 0.1456196206E+01 0.4978084880E+00
|
||
|
|
6 0.7478471227E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3280243765E+01 -0.7052075733E-02
|
||
|
|
2 0.1055469423E+01 -0.5259505547E-01
|
||
|
|
3 0.4509658273E+00 -0.3773450392E-01
|
||
|
|
4 0.2248804868E+00 0.3874773403E+00
|
||
|
|
5 0.1213806186E+00 0.5791672602E+00
|
||
|
|
6 0.6749472985E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.4589982603E+02 0.6633434386E-02
|
||
|
|
2 0.1321681302E+02 0.5958177963E-01
|
||
|
|
3 0.5198503467E+01 0.2401949582E+00
|
||
|
|
4 0.2375892770E+01 0.4648114679E+00
|
||
|
|
5 0.1182401073E+01 0.3434092326E+00
|
||
|
|
6 0.6072363305E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
NICKEL
|
||
|
|
S 6
|
||
|
|
1 0.1742087786E+05 0.9163596281E-02
|
||
|
|
2 0.3194098886E+04 0.4936149294E-01
|
||
|
|
3 0.8935937642E+03 0.1685383049E+00
|
||
|
|
4 0.3069735755E+03 0.3705627997E+00
|
||
|
|
5 0.1192068223E+03 0.4164915298E+00
|
||
|
|
6 0.4909595247E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1377587853E+04 -0.1325278809E-01
|
||
|
|
2 0.2726605878E+03 -0.4699171014E-01
|
||
|
|
3 0.8474270746E+02 -0.3378537151E-01
|
||
|
|
4 0.3260357407E+02 0.2502417861E+00
|
||
|
|
5 0.1415975444E+02 0.5951172526E+00
|
||
|
|
6 0.6490451468E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.6186673993E+02 -0.9737395526E-02
|
||
|
|
2 0.1781447130E+02 -0.7265876782E-01
|
||
|
|
3 0.7006877582E+01 -0.1716155198E+00
|
||
|
|
4 0.3202381203E+01 0.1289776243E+00
|
||
|
|
5 0.1593716273E+01 0.7288614510E+00
|
||
|
|
6 0.8184722119E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3495285760E+01 0.3775056180E-02
|
||
|
|
2 0.1124662528E+01 -0.5585965266E-01
|
||
|
|
3 0.4805296640E+00 -0.3192946152E+00
|
||
|
|
4 0.2396229120E+00 -0.2764780132E-01
|
||
|
|
5 0.1293379328E+00 0.9049199432E+00
|
||
|
|
6 0.7191946240E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1377587853E+04 0.3759696623E-02
|
||
|
|
2 0.2726605878E+03 0.3767936984E-01
|
||
|
|
3 0.8474270746E+02 0.1738967435E+00
|
||
|
|
4 0.3260357407E+02 0.4180364347E+00
|
||
|
|
5 0.1415975444E+02 0.4258595477E+00
|
||
|
|
6 0.6490451468E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.6186673993E+02 -0.8104943356E-02
|
||
|
|
2 0.1781447130E+02 -0.1715478915E-01
|
||
|
|
3 0.7006877582E+01 0.7369785762E-01
|
||
|
|
4 0.3202381203E+01 0.3965149986E+00
|
||
|
|
5 0.1593716273E+01 0.4978084880E+00
|
||
|
|
6 0.8184722119E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3495285760E+01 -0.7052075733E-02
|
||
|
|
2 0.1124662528E+01 -0.5259505547E-01
|
||
|
|
3 0.4805296640E+00 -0.3773450392E-01
|
||
|
|
4 0.2396229120E+00 0.3874773403E+00
|
||
|
|
5 0.1293379328E+00 0.5791672602E+00
|
||
|
|
6 0.7191946240E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.5166802249E+02 0.6633434386E-02
|
||
|
|
2 0.1487775992E+02 0.5958177963E-01
|
||
|
|
3 0.5851795470E+01 0.2401949582E+00
|
||
|
|
4 0.2674469420E+01 0.4648114679E+00
|
||
|
|
5 0.1330992522E+01 0.3434092326E+00
|
||
|
|
6 0.6835472614E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
COPPER
|
||
|
|
S 6
|
||
|
|
1 0.1868650813E+05 0.9163596281E-02
|
||
|
|
2 0.3426150811E+04 0.4936149294E-01
|
||
|
|
3 0.9585135305E+03 0.1685383049E+00
|
||
|
|
4 0.3292752674E+03 0.3705627997E+00
|
||
|
|
5 0.1278672219E+03 0.4164915298E+00
|
||
|
|
6 0.5266278326E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1494364736E+04 -0.1325278809E-01
|
||
|
|
2 0.2957737804E+03 -0.4699171014E-01
|
||
|
|
3 0.9192627051E+02 -0.3378537151E-01
|
||
|
|
4 0.3536734970E+02 0.2502417861E+00
|
||
|
|
5 0.1536006408E+02 0.5951172526E+00
|
||
|
|
6 0.7040641197E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.6771767076E+02 -0.9737395526E-02
|
||
|
|
2 0.1949924150E+02 -0.7265876782E-01
|
||
|
|
3 0.7669539880E+01 -0.1716155198E+00
|
||
|
|
4 0.3505240396E+01 0.1289776243E+00
|
||
|
|
5 0.1744438999E+01 0.7288614510E+00
|
||
|
|
6 0.8958776854E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.3495285760E+01 0.3775056180E-02
|
||
|
|
2 0.1124662528E+01 -0.5585965266E-01
|
||
|
|
3 0.4805296640E+00 -0.3192946152E+00
|
||
|
|
4 0.2396229120E+00 -0.2764780132E-01
|
||
|
|
5 0.1293379328E+00 0.9049199432E+00
|
||
|
|
6 0.7191946240E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1494364736E+04 0.3759696623E-02
|
||
|
|
2 0.2957737804E+03 0.3767936984E-01
|
||
|
|
3 0.9192627051E+02 0.1738967435E+00
|
||
|
|
4 0.3536734970E+02 0.4180364347E+00
|
||
|
|
5 0.1536006408E+02 0.4258595477E+00
|
||
|
|
6 0.7040641197E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.6771767076E+02 -0.8104943356E-02
|
||
|
|
2 0.1949924150E+02 -0.1715478915E-01
|
||
|
|
3 0.7669539880E+01 0.7369785762E-01
|
||
|
|
4 0.3505240396E+01 0.3965149986E+00
|
||
|
|
5 0.1744438999E+01 0.4978084880E+00
|
||
|
|
6 0.8958776854E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.3495285760E+01 -0.7052075733E-02
|
||
|
|
2 0.1124662528E+01 -0.5259505547E-01
|
||
|
|
3 0.4805296640E+00 -0.3773450392E-01
|
||
|
|
4 0.2396229120E+00 0.3874773403E+00
|
||
|
|
5 0.1293379328E+00 0.5791672602E+00
|
||
|
|
6 0.7191946240E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.5777753235E+02 0.6633434386E-02
|
||
|
|
2 0.1663698771E+02 0.5958177963E-01
|
||
|
|
3 0.6543743805E+01 0.2401949582E+00
|
||
|
|
4 0.2990713326E+01 0.4648114679E+00
|
||
|
|
5 0.1488376365E+01 0.3434092326E+00
|
||
|
|
6 0.7643736320E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
ZINC
|
||
|
|
S 6
|
||
|
|
1 0.2001011084E+05 0.9163596281E-02
|
||
|
|
2 0.3668831918E+04 0.4936149294E-01
|
||
|
|
3 0.1026406959E+04 0.1685383049E+00
|
||
|
|
4 0.3525984925E+03 0.3705627997E+00
|
||
|
|
5 0.1369243127E+03 0.4164915298E+00
|
||
|
|
6 0.5639299342E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1615891864E+04 -0.1325278809E-01
|
||
|
|
2 0.3198271707E+03 -0.4699171014E-01
|
||
|
|
3 0.9940204628E+02 -0.3378537151E-01
|
||
|
|
4 0.3824355010E+02 0.2502417861E+00
|
||
|
|
5 0.1660919987E+02 0.5951172526E+00
|
||
|
|
6 0.7613211526E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.7354921499E+02 -0.9737395526E-02
|
||
|
|
2 0.2117842933E+02 -0.7265876782E-01
|
||
|
|
3 0.8330006498E+01 -0.1716155198E+00
|
||
|
|
4 0.3807096088E+01 0.1289776243E+00
|
||
|
|
5 0.1894662316E+01 0.7288614510E+00
|
||
|
|
6 0.9730266819E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.4928899060E+01 0.3775056180E-02
|
||
|
|
2 0.1585949893E+01 -0.5585965266E-01
|
||
|
|
3 0.6776219090E+00 -0.3192946152E+00
|
||
|
|
4 0.3379057470E+00 -0.2764780132E-01
|
||
|
|
5 0.1823866943E+00 0.9049199432E+00
|
||
|
|
6 0.1014176794E+00 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1615891864E+04 0.3759696623E-02
|
||
|
|
2 0.3198271707E+03 0.3767936984E-01
|
||
|
|
3 0.9940204628E+02 0.1738967435E+00
|
||
|
|
4 0.3824355010E+02 0.4180364347E+00
|
||
|
|
5 0.1660919987E+02 0.4258595477E+00
|
||
|
|
6 0.7613211526E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.7354921499E+02 -0.8104943356E-02
|
||
|
|
2 0.2117842933E+02 -0.1715478915E-01
|
||
|
|
3 0.8330006498E+01 0.7369785762E-01
|
||
|
|
4 0.3807096088E+01 0.3965149986E+00
|
||
|
|
5 0.1894662316E+01 0.4978084880E+00
|
||
|
|
6 0.9730266819E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.4928899060E+01 -0.7052075733E-02
|
||
|
|
2 0.1585949893E+01 -0.5259505547E-01
|
||
|
|
3 0.6776219090E+00 -0.3773450392E-01
|
||
|
|
4 0.3379057470E+00 0.3874773403E+00
|
||
|
|
5 0.1823866943E+00 0.5791672602E+00
|
||
|
|
6 0.1014176794E+00 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.6555947787E+02 0.6633434386E-02
|
||
|
|
2 0.1887779182E+02 0.5958177963E-01
|
||
|
|
3 0.7425108164E+01 0.2401949582E+00
|
||
|
|
4 0.3393526794E+01 0.4648114679E+00
|
||
|
|
5 0.1688842936E+01 0.3434092326E+00
|
||
|
|
6 0.8673256571E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
GALLIUM
|
||
|
|
S 6
|
||
|
|
1 0.2137900011E+05 0.9163596281E-02
|
||
|
|
2 0.3919816268E+04 0.4936149294E-01
|
||
|
|
3 0.1096623335E+04 0.1685383049E+00
|
||
|
|
4 0.3767197129E+03 0.3705627997E+00
|
||
|
|
5 0.1462912884E+03 0.4164915298E+00
|
||
|
|
6 0.6025083131E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1739490009E+04 -0.1325278809E-01
|
||
|
|
2 0.3442904693E+03 -0.4699171014E-01
|
||
|
|
3 0.1070052212E+03 -0.3378537151E-01
|
||
|
|
4 0.4116876556E+02 0.2502417861E+00
|
||
|
|
5 0.1787962294E+02 0.5951172526E+00
|
||
|
|
6 0.8195539368E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.7554658101E+02 -0.9737395526E-02
|
||
|
|
2 0.2175356905E+02 -0.7265876782E-01
|
||
|
|
3 0.8556223350E+01 -0.1716155198E+00
|
||
|
|
4 0.3910484878E+01 0.1289776243E+00
|
||
|
|
5 0.1946115403E+01 0.7288614510E+00
|
||
|
|
6 0.9994510350E+00 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.4423721040E+01 0.3775056180E-02
|
||
|
|
2 0.1423401012E+01 -0.5585965266E-01
|
||
|
|
3 0.6081703560E+00 -0.3192946152E+00
|
||
|
|
4 0.3032727480E+00 -0.2764780132E-01
|
||
|
|
5 0.1636933212E+00 0.9049199432E+00
|
||
|
|
6 0.9102306960E-01 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1739490009E+04 0.3759696623E-02
|
||
|
|
2 0.3442904693E+03 0.3767936984E-01
|
||
|
|
3 0.1070052212E+03 0.1738967435E+00
|
||
|
|
4 0.4116876556E+02 0.4180364347E+00
|
||
|
|
5 0.1787962294E+02 0.4258595477E+00
|
||
|
|
6 0.8195539368E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.7554658101E+02 -0.8104943356E-02
|
||
|
|
2 0.2175356905E+02 -0.1715478915E-01
|
||
|
|
3 0.8556223350E+01 0.7369785762E-01
|
||
|
|
4 0.3910484878E+01 0.3965149986E+00
|
||
|
|
5 0.1946115403E+01 0.4978084880E+00
|
||
|
|
6 0.9994510350E+00 0.1174825823E+00
|
||
|
|
P 6
|
||
|
|
1 0.4423721040E+01 -0.7052075733E-02
|
||
|
|
2 0.1423401012E+01 -0.5259505547E-01
|
||
|
|
3 0.6081703560E+00 -0.3773450392E-01
|
||
|
|
4 0.3032727480E+00 0.3874773403E+00
|
||
|
|
5 0.1636933212E+00 0.5791672602E+00
|
||
|
|
6 0.9102306960E-01 0.1221817127E+00
|
||
|
|
D 6
|
||
|
|
1 0.7554658101E+02 0.6633434386E-02
|
||
|
|
2 0.2175356905E+02 0.5958177963E-01
|
||
|
|
3 0.8556223350E+01 0.2401949582E+00
|
||
|
|
4 0.3910484878E+01 0.4648114679E+00
|
||
|
|
5 0.1946115403E+01 0.3434092326E+00
|
||
|
|
6 0.9994510350E+00 0.5389056980E-01
|
||
|
|
|
||
|
|
GERMANIUM
|
||
|
|
S 6
|
||
|
|
1 0.2277866493E+05 0.9163596281E-02
|
||
|
|
2 0.4176443280E+04 0.4936149294E-01
|
||
|
|
3 0.1168418325E+04 0.1685383049E+00
|
||
|
|
4 0.4013832297E+03 0.3705627997E+00
|
||
|
|
5 0.1558688538E+03 0.4164915298E+00
|
||
|
|
6 0.6419540160E+02 0.1303340841E+00
|
||
|
|
S 6
|
||
|
|
1 0.1870418666E+04 -0.1325278809E-01
|
||
|
|
2 0.3702046675E+03 -0.4699171014E-01
|
||
|
|
3 0.1150593347E+03 -0.3378537151E-01
|
||
|
|
4 0.4426747332E+02 0.2502417861E+00
|
||
|
|
5 0.1922539383E+02 0.5951172526E+00
|
||
|
|
6 0.8812404632E+01 0.2407061763E+00
|
||
|
|
S 6
|
||
|
|
1 0.8501816438E+02 -0.9737395526E-02
|
||
|
|
2 0.2448090284E+02 -0.7265876782E-01
|
||
|
|
3 0.9628952013E+01 -0.1716155198E+00
|
||
|
|
4 0.4400758337E+01 0.1289776243E+00
|
||
|
|
5 0.2190107838E+01 0.7288614510E+00
|
||
|
|
6 0.1124756293E+01 0.3013317422E+00
|
||
|
|
S 6
|
||
|
|
1 0.5461384000E+01 0.3775056180E-02
|
||
|
|
2 0.1757285200E+01 -0.5585965266E-01
|
||
|
|
3 0.7508276000E+00 -0.3192946152E+00
|
||
|
|
4 0.3744108000E+00 -0.2764780132E-01
|
||
|
|
5 0.2020905200E+00 0.9049199432E+00
|
||
|
|
6 0.1123741600E+00 0.3406258162E+00
|
||
|
|
P 6
|
||
|
|
1 0.1870418666E+04 0.3759696623E-02
|
||
|
|
2 0.3702046675E+03 0.3767936984E-01
|
||
|
|
3 0.1150593347E+03 0.1738967435E+00
|
||
|
|
4 0.4426747332E+02 0.4180364347E+00
|
||
|
|
5 0.1922539383E+02 0.4258595477E+00
|
||
|
|
6 0.8812404632E+01 0.1017082955E+00
|
||
|
|
P 6
|
||
|
|
1 0.8501816438E+02 -0.8104943356E-02
|
||
|
|