%chk=000191879.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191879

0 1
O -1.928688 -2.440888 -0.290393
O -3.192080 0.602639 -0.516231
O 2.624625 -2.516630 -0.378908
O 0.468483 2.852361 -1.706412
N 1.744546 -0.878796 1.066437
N 0.381776 2.284590 0.552336
N 0.335585 -2.115158 -0.601999
N -1.069160 1.219150 -1.142311
C -0.801215 -0.891076 1.252854
C -1.495748 0.549262 1.234187
C 0.498808 -0.133865 0.915743
C -0.060175 1.191911 1.455328
C -0.935156 -1.885604 0.090238
C -2.058957 0.799968 -0.171098
C -0.894652 -1.634928 2.561623
C -2.524743 0.860338 2.284985
C 2.909056 0.061698 1.088449
C 1.871482 2.477887 0.690579
C 1.673636 -1.879875 -0.012961
C -0.033529 2.177084 -0.837463
C 2.773593 1.319335 0.197771
C 0.225716 -1.909301 -2.081488
C -0.975982 0.455862 -2.430017
C 0.290987 -0.429781 -2.532467
H 0.489542 0.070687 -0.219508
H 0.134260 1.465096 2.508117
H -0.659292 -0.994664 3.421413
H -1.902320 -2.049232 2.712201
H -0.179159 -2.472100 2.599455
H -2.183619 0.620970 3.299625
H -2.797948 1.926266 2.275167
H -3.454123 0.290898 2.110947
H 3.823535 -0.506820 0.797636
H 3.037601 0.358064 2.155057
H 2.077761 2.705056 1.758586
H 2.124226 3.398895 0.108305
H 3.796153 1.741778 0.074011
H 2.476281 1.026872 -0.830332
H -0.725344 -2.385323 -2.420662
H 1.056065 -2.477497 -2.564065
H -0.966552 1.197033 -3.264822
H -1.902830 -0.152438 -2.541182
H 1.142808 0.075800 -2.029982
H 0.582450 -0.440222 -3.607844


%chk=000191879-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191879

0 1
O -1.895815 -2.560870 -0.184820
O -3.137628 0.427587 -0.544090
O 2.708065 -2.147045 -0.803194
O 0.759962 2.557129 -1.780986
N 1.785733 -0.812175 0.935999
N 0.438894 2.213129 0.523331
N 0.335882 -1.924627 -0.659606
N -0.971753 1.114027 -1.133108
C -0.759223 -0.955354 1.352174
C -1.487581 0.557523 1.260363
C 0.488603 -0.164097 1.022110
C -0.037354 1.186799 1.482168
C -0.874632 -1.916455 0.149753
C -1.972841 0.729857 -0.186269
C -0.932152 -1.660397 2.697300
C -2.580958 0.886047 2.270984
C 2.964160 0.067063 1.158022
C 1.884930 2.546448 0.764242
C 1.717250 -1.676647 -0.189551
C 0.109972 2.024064 -0.838604
C 2.913831 1.424283 0.374149
C 0.132699 -1.961977 -2.140357
C -1.008067 0.503168 -2.503510
C 0.139780 -0.531394 -2.781850
H 0.287495 0.013276 -0.041321
H 0.118238 1.526977 2.516610
H -0.733544 -0.986670 3.548836
H -1.956189 -2.060736 2.792505
H -0.229172 -2.510103 2.773118
H -2.288316 0.616198 3.299084
H -2.799628 1.969776 2.250934
H -3.508903 0.350785 2.009669
H 3.855655 -0.494421 0.829643
H 3.056195 0.251309 2.244817
H 1.981060 2.812300 1.833066
H 2.123920 3.438732 0.163945
H 3.914182 1.885424 0.501617
H 2.814859 1.216534 -0.708140
H -0.820383 -2.485690 -2.324367
H 0.948931 -2.549625 -2.592175
H -0.914473 1.312650 -3.245962
H -2.005929 0.045145 -2.607226
H 1.114210 -0.045184 -2.579885
H 0.117735 -0.697462 -3.878509


