%chk=000203105.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203105

0 1
O -2.194141 0.306542 1.002808
O 1.518068 -0.413434 -0.456772
O 3.414580 1.688962 0.125411
O -0.568896 2.417283 0.053956
O -2.780432 -0.764177 -0.945664
N -4.381441 0.026734 0.572241
C -5.550995 -0.439480 -0.164991
C -6.842733 0.354817 -0.036952
C -6.725959 -1.009273 0.618114
C 1.187012 1.003100 -0.618566
C -0.334539 1.062017 -0.367560
C -3.108748 -0.222123 0.086865
C -0.787926 0.071646 0.714176
C 1.991784 1.846499 0.375709
C 2.880196 -0.655202 -0.339222
C 3.803823 0.369081 -0.032579
C 3.306000 -1.973694 -0.513237
C 5.166496 0.082805 0.083608
C 4.670824 -2.254426 -0.385603
C 5.589371 -1.238266 -0.098267
H -5.277054 -0.885972 -1.138342
H -6.884329 1.246806 0.584265
H -7.474060 0.483325 -0.914739
H -7.274036 -1.856636 0.209544
H -6.684162 -1.082127 1.702561
H -4.511303 0.462298 1.482154
H 1.438331 1.271624 -1.669836
H -0.905634 0.894879 -1.314334
H -0.625338 -0.978534 0.400694
H -0.328260 0.259349 1.701835
H 1.833525 2.933260 0.231976
H 1.795136 1.568976 1.424835
H -1.457249 2.481751 0.478080
H 2.582474 -2.751833 -0.747103
H 5.869546 0.881353 0.311267
H 5.019438 -3.277617 -0.517536
H 6.648731 -1.475814 -0.011299


%chk=000203105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203105

0 1
O -2.392601 1.034841 0.652843
O 1.495010 -0.381558 -0.499480
O 3.482999 1.559382 0.412132
O -0.460489 2.734875 -0.546524
O -2.889968 -1.105058 -0.237865
N -4.555622 0.509394 0.188876
C -5.684948 -0.243548 -0.312521
C -6.990300 -0.205150 0.492229
C -6.152022 -1.490708 0.445485
C 1.263906 1.083641 -0.536731
C -0.259744 1.278020 -0.508463
C -3.269201 0.023199 0.151120
C -0.953211 0.663361 0.717181
C 2.030104 1.754662 0.612375
C 2.857816 -0.727595 -0.326048
C 3.826437 0.221645 0.103630
C 3.240579 -2.056711 -0.595549
C 5.177224 -0.161151 0.229974
C 4.591735 -2.440537 -0.454253
C 5.561740 -1.489787 -0.051885
H -5.768153 -0.274519 -1.405013
H -6.991271 0.359273 1.429941
H -7.929846 -0.165042 -0.065091
H -6.510041 -2.334681 -0.148899
H -5.588917 -1.766343 1.340362
H -4.688288 1.465719 0.521081
H 1.655333 1.480252 -1.494726
H -0.686959 0.802331 -1.415730
H -0.846526 -0.433783 0.722190
H -0.598036 1.109078 1.660098
H 1.863594 2.841035 0.610155
H 1.743992 1.322674 1.591102
H -1.429664 2.899510 -0.415236
H 2.472686 -2.765860 -0.920555
H 5.903200 0.589849 0.557101
H 4.885551 -3.473959 -0.664895
H 6.612002 -1.782256 0.049085


