75 lines
2.7 KiB
Plaintext
75 lines
2.7 KiB
Plaintext
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#p ROCCSD(T,FreezeInnerNobleGasCore) GEN pop=full gfprint
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G2
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0,2
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Na
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Na 0
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S 11 1.00
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31700.0000000 0.458878D-03
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4755.0000000 0.355070D-02
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1082.0000000 0.182618D-01
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306.4000000 0.716650D-01
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99.5300000 0.212346D+00
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35.4200000 0.416203D+00
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13.3000000 0.373020D+00
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4.3920000 0.625054D-01
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1.6760000 -0.624532D-02
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0.5889000 0.243374D-02
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0.0564000 -0.442381D-03
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S 11 1.00
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31700.0000000 -0.112162D-03
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4755.0000000 -0.868512D-03
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1082.0000000 -0.451330D-02
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306.4000000 -0.181436D-01
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99.5300000 -0.580799D-01
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35.4200000 -0.137653D+00
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13.3000000 -0.193908D+00
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4.3920000 0.858009D-01
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1.6760000 0.604419D+00
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0.5889000 0.441719D+00
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0.0564000 0.130547D-01
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S 11 1.00
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31700.0000000 0.170160D-04
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4755.0000000 0.130693D-03
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1082.0000000 0.687784D-03
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306.4000000 0.272359D-02
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99.5300000 0.895529D-02
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35.4200000 0.207832D-01
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13.3000000 0.319380D-01
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4.3920000 -0.191368D-01
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1.6760000 -0.102595D+00
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0.5889000 -0.198945D+00
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0.0564000 0.655952D+00
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S 1 1.00
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0.0230700 1.0000000
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S 1 1.00
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0.7040000 1.0000000
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P 7 1.00
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138.1000000 0.579641D-02
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32.2400000 0.415756D-01
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9.9850000 0.162873D+00
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3.4840000 0.359401D+00
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1.2310000 0.449988D+00
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0.4177000 0.227507D+00
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0.0651300 0.808247D-02
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P 7 1.00
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138.1000000 -0.581531D-03
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32.2400000 -0.407306D-02
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9.9850000 -0.167937D-01
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3.4840000 -0.353268D-01
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1.2310000 -0.521971D-01
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0.4177000 -0.168359D-01
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0.0651300 0.434613D+00
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P 1 1.00
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0.0205300 1.0000000
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P 1 1.00
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0.7610000 1.0000000
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D 1 1.00
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0.0973000 1.0000000
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D 1 1.00
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2.9490000 1.0000000
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****
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