102 lines
3.6 KiB
Plaintext
102 lines
3.6 KiB
Plaintext
#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 14 1.00
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423000.0000000 0.180618D-04
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63340.0000000 0.140430D-03
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14410.0000000 0.738438D-03
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4077.0000000 0.311182D-02
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1328.0000000 0.112081D-01
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478.6000000 0.352828D-01
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186.2000000 0.959897D-01
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76.9200000 0.213735D+00
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33.3200000 0.348688D+00
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15.0000000 0.324566D+00
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6.8690000 0.112633D+00
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2.6830000 0.706797D-02
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1.1090000 0.598010D-03
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0.0601500 -0.530870D-05
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S 14 1.00
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423000.0000000 -0.440653D-05
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63340.0000000 -0.343443D-04
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14410.0000000 -0.180114D-03
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4077.0000000 -0.763900D-03
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1328.0000000 -0.275248D-02
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478.6000000 -0.886016D-02
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186.2000000 -0.247939D-01
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76.9200000 -0.605995D-01
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33.3200000 -0.116446D+00
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15.0000000 -0.162437D+00
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6.8690000 -0.438891D-01
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2.6830000 0.337917D+00
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1.1090000 0.561347D+00
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0.0601500 0.406754D-02
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S 14 1.00
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423000.0000000 0.663019D-06
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63340.0000000 0.515769D-05
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14410.0000000 0.271250D-04
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4077.0000000 0.114635D-03
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1328.0000000 0.415118D-03
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478.6000000 0.132978D-02
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186.2000000 0.375595D-02
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76.9200000 0.914025D-02
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33.3200000 0.179859D-01
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15.0000000 0.251477D-01
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6.8690000 0.763522D-02
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2.6830000 -0.614589D-01
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1.1090000 -0.115721D+00
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0.0601500 0.626406D+00
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S 1 1.00
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0.4540000 1.0000000
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S 1 1.00
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0.0238200 1.0000000
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S 1 1.00
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4.1890000 1.0000000
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S 1 1.00
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0.6260000 1.0000000
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P 8 1.00
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243.3000000 0.224392D-02
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57.3900000 0.173997D-01
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18.1000000 0.774125D-01
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6.5750000 0.219102D+00
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2.5210000 0.378522D+00
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0.9607000 0.394902D+00
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0.3512000 0.160424D+00
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0.0982700 0.233311D-02
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P 8 1.00
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243.3000000 -0.222401D-03
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57.3900000 -0.174277D-02
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18.1000000 -0.775456D-02
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6.5750000 -0.225187D-01
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2.5210000 -0.384330D-01
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0.9607000 -0.450177D-01
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0.3512000 -0.192132D-01
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0.0982700 0.182697D+00
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P 1 1.00
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0.0373400 1.0000000
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P 1 1.00
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0.0150000 1.0000000
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P 1 1.00
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1.5690000 1.0000000
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P 1 1.00
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0.5120000 1.0000000
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D 1 1.00
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0.1367000 1.0000000
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D 1 1.00
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0.0636000 1.0000000
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D 1 1.00
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5.4040000 1.0000000
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D 1 1.00
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1.5300000 1.0000000
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F 1 1.00
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0.1397000 1.0000000
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F 1 1.00
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3.4650000 1.0000000
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****
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