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** MP2 H2O                                             MP2       FIRST   
    3      -76.2197251109
        8.0000000000        0.0000000000        0.0000000000       -0.1315101651
        1.0000000000       -0.0000000000        1.4799409967        1.0435808775
        1.0000000000       -0.0000000000       -1.4799409967        1.0435808775
                            0.0000000000        0.0000000000       -0.0417237821
                            0.0000000000        0.0285096981        0.0208618910
                            0.0000000000       -0.0285096981        0.0208618910
6-31G** MP2 H2O                                             MP2       FIRST   
    3      -76.2223722839
        8.0000000000        0.0000000000        0.0000000000       -0.1276610204
        1.0000000000        0.0000000000        1.4126532533        1.0130365179
        1.0000000000        0.0000000000       -1.4126532533        1.0130365179
                            0.0000000000        0.0000000000       -0.0031559350
                            0.0000000000       -0.0025430499        0.0015779675
                            0.0000000000        0.0025430499        0.0015779675
6-31G** MP2 H2O                                             MP2       FIRST   
    3      -76.2224486353
        8.0000000000        0.0000000000        0.0000000000       -0.1253192903
        1.0000000000        0.0000000000        1.4293272642        0.9944540396
        1.0000000000        0.0000000000       -1.4293272642        0.9944540396
                            0.0000000000        0.0000000000       -0.0001242424
                            0.0000000000        0.0000169919        0.0000621212
                            0.0000000000       -0.0000169919        0.0000621212
6-31G** MP2 H2O                                             MP2       FIRST   
    3      -76.2224486575
        8.0000000000        0.0000000000        0.0000000000       -0.1252725413
        1.0000000000        0.0000000000        1.4294762278        0.9940830692
        1.0000000000        0.0000000000       -1.4294762278        0.9940830692
                            0.0000000000        0.0000000000        0.0000117976
                            0.0000000000       -0.0000082377       -0.0000058988
                            0.0000000000        0.0000082377       -0.0000058988
6-31G** MP2 H2O                                             MP2       FIRST   
    3      -76.2224486577
        8.0000000000        0.0000000000        0.0000000000       -0.1252739753
        1.0000000000        0.0000000000        1.4294907236        0.9940944482
        1.0000000000        0.0000000000       -1.4294907236        0.9940944482
                            0.0000000000        0.0000000000       -0.0000003766
                            0.0000000000        0.0000005258        0.0000001883
                            0.0000000000       -0.0000005258        0.0000001883