%chk=000235126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235126

0 1
O 5.759526 -1.266333 0.044375
O -5.765153 1.278423 -0.067973
N 6.844104 0.733649 -0.030822
N -6.849723 -0.720309 0.035263
C 0.660404 -0.378632 0.016994
C -0.666013 0.391661 -0.020555
C 1.862825 0.574205 -0.029697
C -1.868434 -0.561169 0.026357
C 3.183794 -0.201789 0.008092
C -3.189410 0.214793 -0.011975
C 4.392422 0.742270 -0.037747
C -4.398035 -0.729256 0.034155
C 5.686495 -0.049711 -0.003149
C -5.692112 0.062473 -0.005611
C 8.181141 0.107768 -0.003289
C -8.186762 -0.094614 0.003821
H 0.709564 -1.001605 0.931270
H 0.709430 -1.087781 -0.832209
H -0.714974 1.100953 0.828519
H -0.715244 1.014482 -0.934943
H 1.813349 1.282110 0.820117
H 1.813179 1.195783 -0.944554
H -1.818819 -1.269398 -0.823185
H -1.818924 -1.182385 0.941457
H 3.240022 -0.832055 0.919312
H 3.240240 -0.917426 -0.837835
H -3.245879 0.930858 0.833516
H -3.245617 0.844585 -0.923587
H 4.352401 1.447894 0.816459
H 4.350442 1.364584 -0.954452
H -4.356735 -1.436806 -0.818473
H -4.357327 -1.349506 0.952244
H 6.820239 1.742436 -0.070194
H -6.825857 -1.728546 0.086787
H 8.748184 0.432034 0.884139
H 8.752254 0.361725 -0.910786
H 8.086982 -0.997426 0.039788
H -8.755468 -0.337694 0.915796
H -8.756215 -0.429320 -0.878172
H -8.092597 1.009975 -0.052651


%chk=000235126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235126

0 1
O 5.903888 -0.848019 1.248942
O -5.905952 0.867418 -1.246015
N 6.816554 0.603272 -0.326966
N -6.823944 -0.593168 0.318221
C 0.682482 -0.350228 -0.014257
C -0.687416 0.363948 0.016174
C 1.877877 0.616087 0.145877
C -1.882912 -0.602210 -0.144283
C 3.242372 -0.106221 0.127159
C -3.247269 0.120430 -0.126499
C 4.434581 0.868080 0.278464
C -4.439460 -0.853377 -0.279405
C 5.766010 0.126671 0.446970
C -5.770644 -0.111717 -0.449087
C 8.165404 0.029264 -0.261618
C -8.172761 -0.019145 0.250964
H 0.719100 -1.111443 0.792598
H 0.785445 -0.905467 -0.970043
H -0.790430 0.919012 0.972052
H -0.723930 1.125290 -0.790567
H 1.772144 1.172805 1.100887
H 1.843561 1.376100 -0.663099
H -1.776793 -1.159250 -1.099071
H -1.849214 -1.362001 0.664925
H 3.296880 -0.844773 0.948815
H 3.349915 -0.676869 -0.817409
H -3.355618 0.690631 0.818256
H -3.300756 0.859435 -0.947803
H 4.279737 1.477916 1.191618
H 4.470923 1.570980 -0.577667
H -4.283852 -1.463118 -1.192544
H -4.477049 -1.556633 0.576417
H 6.640726 1.384535 -0.959626
H -6.650150 -1.377752 0.947307
H 8.910330 0.784173 0.051637
H 8.472126 -0.395076 -1.235874
H 8.138186 -0.779529 0.486509
H -8.483977 0.397844 1.226945
H -8.916001 -0.772010 -0.071143
H -8.142416 0.795016 -0.491160


