102 lines
4.8 KiB
Plaintext
102 lines
4.8 KiB
Plaintext
Total Energy, E(EOM-CCSD) = -0.948517523338E-01
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Total Energy, E(EOM-CCSD) = -0.145685020446
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Total Energy, E(EOM-CCSD) = -0.183386203401
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Total Energy, E(EOM-CCSD) = -0.211451886977
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Total Energy, E(EOM-CCSD) = -0.232307034478
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Total Energy, E(EOM-CCSD) = -0.247672360519
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Total Energy, E(EOM-CCSD) = -0.258795267398
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Total Energy, E(EOM-CCSD) = -0.266599046251
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Total Energy, E(EOM-CCSD) = -0.285815632774
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Total Energy, E(EOM-CCSD) = -0.327998125222
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Total Energy, E(EOM-CCSD) = -0.366170368748
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Total Energy, E(EOM-CCSD) = -0.391324672008
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Total Energy, E(EOM-CCSD) = -0.404367693462
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Total Energy, E(EOM-CCSD) = -0.415877355307
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Total Energy, E(EOM-CCSD) = -0.426028830602
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Total Energy, E(EOM-CCSD) = -0.434963620477
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Total Energy, E(EOM-CCSD) = -0.442799896427
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Total Energy, E(EOM-CCSD) = -0.449639413655
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Total Energy, E(EOM-CCSD) = -0.455572055664
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Total Energy, E(EOM-CCSD) = -0.460679112669
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Total Energy, E(EOM-CCSD) = -0.465035834515
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Total Energy, E(EOM-CCSD) = -0.468713130049
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Total Energy, E(EOM-CCSD) = -0.471778283803
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Total Energy, E(EOM-CCSD) = -0.474294414815
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Total Energy, E(EOM-CCSD) = -0.476319210760
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Total Energy, E(EOM-CCSD) = -0.477903531031
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Total Energy, E(EOM-CCSD) = -0.479002481342
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Total Energy, E(EOM-CCSD) = -0.476664711685
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Total Energy, E(EOM-CCSD) = -0.474578992512
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Total Energy, E(EOM-CCSD) = -0.472707512707
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Total Energy, E(EOM-CCSD) = -0.471013413000
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Total Energy, E(EOM-CCSD) = -0.469466467149
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Total Energy, E(EOM-CCSD) = -0.468046832758
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Total Energy, E(EOM-CCSD) = -0.466746674428
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Total Energy, E(EOM-CCSD) = -0.465569556038
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Total Energy, E(EOM-CCSD) = -0.464527961324
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Total Energy, E(EOM-CCSD) = -0.463639402998
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Total Energy, E(EOM-CCSD) = -0.462922075711
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Total Energy, E(EOM-CCSD) = -0.462390915386
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Total Energy, E(EOM-CCSD) = -0.462054734032
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Total Energy, E(EOM-CCSD) = -0.461914838786
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Total Energy, E(EOM-CCSD) = -0.461965017769
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Total Energy, E(EOM-CCSD) = -0.462192629995
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Total Energy, E(EOM-CCSD) = -0.462580160831
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Total Energy, E(EOM-CCSD) = -0.463107057910
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Total Energy, E(EOM-CCSD) = -0.463751705875
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Total Energy, E(EOM-CCSD) = -0.464492217907
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Total Energy, E(EOM-CCSD) = -0.465307976933
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Total Energy, E(EOM-CCSD) = -0.466180110339
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Total Energy, E(EOM-CCSD) = -0.467091875147
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Total Energy, E(EOM-CCSD) = -0.468028833635
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Total Energy, E(EOM-CCSD) = -0.468978795503
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Total Energy, E(EOM-CCSD) = -0.469931675921
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Total Energy, E(EOM-CCSD) = -0.470879295729
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Total Energy, E(EOM-CCSD) = -0.471815094855
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Total Energy, E(EOM-CCSD) = -0.472733893974
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Total Energy, E(EOM-CCSD) = -0.473483592292
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Total Energy, E(EOM-CCSD) = -0.474218131243
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Total Energy, E(EOM-CCSD) = -0.474958301269
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Total Energy, E(EOM-CCSD) = -0.475697664128
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Total Energy, E(EOM-CCSD) = -0.476430335018
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Total Energy, E(EOM-CCSD) = -0.477151317573
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Total Energy, E(EOM-CCSD) = -0.477856207821
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Total Energy, E(EOM-CCSD) = -0.478541212685
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Total Energy, E(EOM-CCSD) = -0.479203171042
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Total Energy, E(EOM-CCSD) = -0.479839457218
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Total Energy, E(EOM-CCSD) = -0.480447985401
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Total Energy, E(EOM-CCSD) = -0.481027169464
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Total Energy, E(EOM-CCSD) = -0.481575852311
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Total Energy, E(EOM-CCSD) = -0.482093361689
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Total Energy, E(EOM-CCSD) = -0.482579371202
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Total Energy, E(EOM-CCSD) = -0.483033910544
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Total Energy, E(EOM-CCSD) = -0.483457312500
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Total Energy, E(EOM-CCSD) = -0.483850198952
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Total Energy, E(EOM-CCSD) = -0.484213419865
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Total Energy, E(EOM-CCSD) = -0.484547964072
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Total Energy, E(EOM-CCSD) = -0.484855025677
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Total Energy, E(EOM-CCSD) = -0.485135904682
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Total Energy, E(EOM-CCSD) = -0.485391967044
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Total Energy, E(EOM-CCSD) = -0.485624676944
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Total Energy, E(EOM-CCSD) = -0.485835427926
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Total Energy, E(EOM-CCSD) = -0.486025821160
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Total Energy, E(EOM-CCSD) = -0.486197193996
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Total Energy, E(EOM-CCSD) = -0.486351175818
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Total Energy, E(EOM-CCSD) = -0.486488983324
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Total Energy, E(EOM-CCSD) = -0.486612035496
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Total Energy, E(EOM-CCSD) = -0.486721613928
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Total Energy, E(EOM-CCSD) = -0.486818927117
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Total Energy, E(EOM-CCSD) = -0.486905156234
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Total Energy, E(EOM-CCSD) = -0.486981380201
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Total Energy, E(EOM-CCSD) = -0.487048750050
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Total Energy, E(EOM-CCSD) = -0.487107708889
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Total Energy, E(EOM-CCSD) = -0.487159540797
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Total Energy, E(EOM-CCSD) = -0.487204957460
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Total Energy, E(EOM-CCSD) = -0.487244614688
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Total Energy, E(EOM-CCSD) = -0.487279193676
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Total Energy, E(EOM-CCSD) = -0.487309284860
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Total Energy, E(EOM-CCSD) = -0.487335384847
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Total Energy, E(EOM-CCSD) = -0.487357994488
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Total Energy, E(EOM-CCSD) = -0.487377544744
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Total Energy, E(EOM-CCSD) = -0.487394388064
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