File: file11.ref

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file content (40 lines) | stat: -rw-r--r-- 2,955 bytes parent folder | download | duplicates (4) 
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6-31G** CCSD H2O                                            CCSD      NONE    
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6-31G** CCSD H2O                                            CCSD      NONE    
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        8.0000000000        0.0000000000        0.0000000000       -0.1254706760
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                           -0.0000000000        0.0000067202        0.0006850937
                           -0.0000000000       -0.0000067202        0.0006850937
6-31G** CCSD H2O                                            CCSD      NONE    
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        8.0000000000        0.0000000000        0.0000000000       -0.1248550479
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6-31G** CCSD H2O                                            CCSD      NONE    
    3      -76.2311784816
        8.0000000000        0.0000000000        0.0000000000       -0.1249068234
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                           -0.0000000000        0.0000041785       -0.0000023170
6-31G** CCSD H2O                                            CCSD      NONE    
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        8.0000000000        0.0000000000        0.0000000000       -0.1249070501
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                           -0.0000000000       -0.0000000000       -0.0000001771
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