%chk=000213274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213274

0 1
O 0.678157 2.203975 -0.081443
O -4.547510 -2.566455 0.746921
N 4.902460 0.153315 -0.138041
N 1.253443 0.174607 0.805470
N -1.915328 -0.683736 2.162960
N -2.852314 -1.631687 1.925618
C 3.727454 0.422361 0.749940
C 2.461366 0.017995 -0.038631
C 5.151355 1.311600 -1.062514
C 6.130300 -0.189532 0.653284
C -0.738393 1.343035 1.664067
C -1.771564 0.315315 1.310164
C 5.972081 0.847338 -2.266247
C 6.006253 -1.599230 1.233466
C 0.451936 1.302307 0.710499
C -2.577375 0.442810 0.087816
C -3.565539 -0.539712 -0.143382
C -2.405668 1.478793 -0.850966
C -3.747550 -1.653435 0.807640
C -4.381914 -0.472746 -1.289187
C -3.215414 1.533962 -1.979957
C -4.208352 0.561757 -2.199935
H 3.803801 -0.188754 1.674750
H 3.652020 1.480018 1.080904
H 2.539693 -1.037702 -0.380603
H 2.360058 0.648046 -0.955422
H 4.167954 1.695560 -1.419285
H 5.655663 2.163930 -0.558479
H 7.003421 -0.158008 -0.038166
H 6.340462 0.542600 1.462292
H 1.048721 -0.567492 1.467216
H -1.189920 2.362613 1.623992
H -0.397139 1.227854 2.718271
H 6.023606 1.629305 -3.030724
H 5.523255 -0.044525 -2.724948
H 6.997345 0.579642 -1.987471
H 6.954435 -1.928799 1.670123
H 5.727151 -2.318883 0.451359
H 5.238271 -1.659145 2.012172
H -1.622404 2.231345 -0.703363
H -5.142794 -1.243534 -1.444517
H -2.906277 -2.369546 2.640886
H -3.078949 2.337129 -2.706632
H -4.836156 0.621813 -3.088796


%chk=000213274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213274

0 1
O 0.893280 2.240282 -0.145905
O -4.574682 -2.592589 0.775217
N 4.941904 0.166238 -0.055255
N 1.235974 0.140067 0.806797
N -1.859880 -0.591875 2.144973
N -2.816477 -1.564111 1.901220
C 3.742472 0.335919 0.797013
C 2.469334 -0.144219 0.053107
C 5.146193 1.316184 -0.982041
C 6.167653 -0.199263 0.703192
C -0.708711 1.445594 1.560609
C -1.765807 0.403979 1.255314
C 5.894892 0.924781 -2.269934
C 6.166468 -1.666598 1.172775
C 0.543688 1.323537 0.660132
C -2.611707 0.481641 0.064807
C -3.605385 -0.532387 -0.137013
C -2.479987 1.518693 -0.905327
C -3.740914 -1.639129 0.835503
C -4.456906 -0.491517 -1.267904
C -3.329347 1.546252 -2.025001
C -4.323269 0.545883 -2.207003
H 3.864866 -0.258358 1.721249
H 3.592220 1.396399 1.110092
H 2.543282 -1.228201 -0.141585
H 2.393402 0.375404 -0.917251
H 4.151001 1.713716 -1.254532
H 5.684308 2.153145 -0.469490
H 7.033029 -0.047310 0.032697
H 6.324790 0.479942 1.579431
H 0.881020 -0.550911 1.472517
H -1.101844 2.465769 1.423701
H -0.411492 1.327625 2.617402
H 6.008671 1.803883 -2.931438
H 5.336009 0.142739 -2.812764
H 6.906218 0.532936 -2.057085
H 7.104669 -1.903103 1.708852
H 6.073518 -2.341592 0.304280
H 5.327347 -1.879117 1.860628
H -1.704066 2.282703 -0.790153
H -5.204029 -1.283562 -1.381288
H -2.861350 -2.300523 2.610375
H -3.220870 2.344815 -2.766746
H -4.979383 0.582342 -3.083067


