130 lines
4.6 KiB
Plaintext
130 lines
4.6 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 16 1.00
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1224000.0000000 0.478894D-05
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183200.0000000 0.372395D-04
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41700.0000000 0.195831D-03
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11810.0000000 0.826698D-03
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3853.0000000 0.300251D-02
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1391.0000000 0.970310D-02
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542.5000000 0.282337D-01
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224.9000000 0.732058D-01
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97.9300000 0.162897D+00
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44.3100000 0.288708D+00
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20.6500000 0.346829D+00
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9.7290000 0.206865D+00
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4.2280000 0.328009D-01
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1.9690000 -0.647736D-03
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0.8890000 0.145878D-02
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0.3964000 -0.178346D-03
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S 16 1.00
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1224000.0000000 -0.116958D-05
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183200.0000000 -0.909110D-05
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41700.0000000 -0.478499D-04
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11810.0000000 -0.201962D-03
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3853.0000000 -0.735837D-03
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1391.0000000 -0.238746D-02
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542.5000000 -0.704969D-02
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224.9000000 -0.187856D-01
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97.9300000 -0.446153D-01
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44.3100000 -0.897741D-01
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20.6500000 -0.142940D+00
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9.7290000 -0.124315D+00
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4.2280000 0.999648D-01
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1.9690000 0.417080D+00
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0.8890000 0.475123D+00
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0.3964000 0.163268D+00
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S 16 1.00
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1224000.0000000 0.175871D-06
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183200.0000000 0.136594D-05
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41700.0000000 0.719795D-05
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11810.0000000 0.303349D-04
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3853.0000000 0.110752D-03
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1391.0000000 0.358596D-03
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542.5000000 0.106272D-02
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224.9000000 0.282687D-02
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97.9300000 0.676742D-02
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44.3100000 0.136480D-01
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20.6500000 0.222814D-01
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9.7290000 0.196011D-01
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4.2280000 -0.167708D-01
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1.9690000 -0.773734D-01
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0.8890000 -0.113501D+00
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0.3964000 -0.139130D+00
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S 1 1.00
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0.0699300 1.0000000
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S 1 1.00
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0.0328900 1.0000000
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S 1 1.00
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0.0161200 1.0000000
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S 1 1.00
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24.2820000 1.0000000
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S 1 1.00
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4.8740000 1.0000000
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S 1 1.00
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0.9780000 1.0000000
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P 9 1.00
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413.4000000 0.908196D-03
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97.9800000 0.741773D-02
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31.3700000 0.357464D-01
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11.6200000 0.118520D+00
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4.6710000 0.261403D+00
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1.9180000 0.378395D+00
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0.7775000 0.334632D+00
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0.3013000 0.126844D+00
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0.2275000 -0.147117D-01
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P 9 1.00
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413.4000000 -0.901741D-04
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97.9800000 -0.739342D-03
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31.3700000 -0.357309D-02
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11.6200000 -0.120142D-01
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4.6710000 -0.267178D-01
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1.9180000 -0.392753D-01
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0.7775000 -0.376083D-01
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0.3013000 -0.433228D-01
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0.2275000 0.518003D-01
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P 1 1.00
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0.0752700 1.0000000
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P 1 1.00
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0.0312600 1.0000000
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P 1 1.00
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0.0134200 1.0000000
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P 1 1.00
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4.4660000 1.0000000
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P 1 1.00
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1.6890000 1.0000000
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P 1 1.00
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0.6380000 1.0000000
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D 1 1.00
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0.1538000 1.0000000
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D 1 1.00
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0.0865000 1.0000000
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D 1 1.00
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0.0487000 1.0000000
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D 1 1.00
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8.6060000 1.0000000
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D 1 1.00
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3.1370000 1.0000000
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D 1 1.00
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1.1440000 1.0000000
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F 1 1.00
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0.1912000 1.0000000
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F 1 1.00
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0.1036000 1.0000000
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F 1 1.00
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6.2580000 1.0000000
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F 1 1.00
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2.1730000 1.0000000
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G 1 1.00
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0.1722000 1.0000000
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G 1 1.00
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4.0970000 1.0000000
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****
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