%chk=000051577.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000051577 0 1 O -1.450900 -0.3942000 2.041400 O -3.228100 0.8414000 0.3043000 O -1.407700 2.526500 -1.166100 O -0.8197000 -3.094600 -0.9220000 O 4.544600 0.4394000 0.1349000 N 0.8783000 -5.5000000E-03 0.3012000 C -1.7100001E-02 -1.182100 0.2566000 C -1.446700 -0.7586000 0.6563000 C -1.963600 0.4070000 -0.1923000 C -0.9762000 1.573500 -0.1952000 C 0.4374000 1.102100 -0.5516000 C -2.2700001E-02 -1.940300 -1.078800 C 2.276700 -0.3400000 4.6599999E-02 C 3.195700 0.8253000 0.3648000 H 0.3292000 -1.876600 1.035200 H -2.151200 -1.594200 0.5755000 H -2.142500 7.0699997E-02 -1.219800 H -0.9791000 2.083100 0.7755000 H 0.4925000 0.8316000 -1.614400 H 1.066300 1.990200 -0.4416000 H 0.9778000 -2.271900 -1.370400 H -0.4320000 -1.346700 -1.900700 H 2.440600 -0.6483000 -0.9935000 H 2.581900 -1.192800 0.6669000 H -1.173800 -1.174500 2.551100 H -3.105100 1.111000 1.230500 H 3.105700 1.125700 1.413700 H 3.028400 1.704200 -0.2608000 H -1.399800 2.095000 -2.037500 H -0.4094000 -3.650400 -0.2377000 H 4.626100 0.1988000 -0.8038000 %chk=000051577-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000051577 0 1 O -1.367458 -0.092181 1.985594 O -3.174160 0.988415 0.299963 O -1.415092 2.576899 -1.377214 O -0.834983 -3.373573 -0.649638 O 4.634402 0.385684 0.625169 N 0.931820 -0.019666 -0.104837 C 0.033584 -1.156699 0.166945 C -1.370984 -0.682291 0.626422 C -1.927274 0.447763 -0.261594 C -0.899177 1.579707 -0.437490 C 0.409363 1.020312 -1.013808 C -0.116030 -2.146902 -1.035619 C 2.374993 -0.299749 -0.185101 C 3.193464 0.680493 0.687681 H 0.478128 -1.738061 1.004526 H -2.056511 -1.552861 0.598471 H -2.205376 0.059486 -1.257439 H -0.697227 2.031762 0.555541 H 0.218655 0.657491 -2.052863 H 1.144988 1.839665 -1.090250 H 0.887806 -2.383438 -1.444933 H -0.727163 -1.715715 -1.845332 H 2.756417 -0.260240 -1.234867 H 2.577702 -1.323827 0.181393 H -1.238549 -0.803851 2.658730 H -3.026999 1.028448 1.284794 H 2.920974 0.555297 1.746922 H 2.984155 1.730991 0.396023 H -2.349348 2.770481 -1.099336 H -0.249181 -3.922987 -0.070045 H 4.964661 0.573947 -0.289508