%chk=000202416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202416

0 1
O 4.063081 2.391413 1.498302
O 4.840969 -1.828715 -0.955313
O 5.962288 0.618967 0.118016
O 0.044985 -1.580721 1.421243
N -6.065287 -0.135670 -0.463590
N -0.411541 0.149342 -0.041845
C -4.661760 -0.026394 -0.281519
C -6.847731 -0.959999 0.506786
C -6.807099 1.039033 -0.996683
C -3.918491 0.957329 -0.978424
C -3.955420 -0.963777 0.509672
C -1.844390 0.056722 -0.097889
C -7.058660 -2.361330 -0.069343
C -6.932244 2.201142 -0.009973
C -2.531408 0.996451 -0.890568
C -2.568483 -0.924860 0.600164
C 1.893427 -0.318894 0.546342
C 0.435147 -0.673331 0.712916
C 2.732960 -1.230246 -0.099877
C 2.378025 0.876238 1.070447
C 3.746637 1.191241 0.924538
C 4.091673 -0.916751 -0.235031
C 4.612363 0.306722 0.244836
C 5.454251 2.807730 1.520458
C 6.042326 -2.311221 -0.289974
C 6.348764 0.907033 -1.258584
H -6.335891 -1.021962 1.493833
H -7.833190 -0.484509 0.705942
H -7.815745 0.687305 -1.311211
H -6.297997 1.380554 -1.928409
H -4.427215 1.689066 -1.603367
H -4.489520 -1.739702 1.055779
H -7.611999 -2.325020 -1.015780
H -6.102712 -2.854952 -0.289519
H -7.615056 -2.996792 0.626379
H -7.496246 1.920567 0.886197
H -5.947632 2.549601 0.328793
H -7.443841 3.055017 -0.466826
H -1.985903 1.761181 -1.440564
H -2.042922 -1.662408 1.218782
H 0.004936 0.885149 -0.615710
H 2.358146 -2.180531 -0.480890
H 1.732878 1.572363 1.606278
H 5.413147 3.678928 2.184687
H 6.088306 2.012582 1.928955
H 5.770827 3.078437 0.510036
H 5.745255 -2.961082 0.538620
H 6.664374 -1.479559 0.059928
H 6.531877 -2.879835 -1.087920
H 5.829745 1.802081 -1.609271
H 6.128308 0.046438 -1.900555
H 7.426288 1.074032 -1.165294


%chk=000202416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202416

0 1
O 4.030855 2.705891 0.256864
O 5.251508 -2.061120 -0.359583
O 6.075417 0.702173 -0.200336
O 0.222808 -2.027935 0.488868
N -6.124629 0.020960 -0.046023
N -0.412895 0.157257 -0.094369
C -4.720476 0.037655 -0.053934
C -6.877993 -1.160789 0.413486
C -6.911242 1.181436 -0.502118
C -3.986457 1.215396 -0.407267
C -3.951126 -1.119622 0.289249
C -1.835384 0.065100 -0.067596
C -7.108613 -2.221957 -0.689912
C -7.154860 2.242956 0.598512
C -2.581877 1.220408 -0.416071
C -2.545149 -1.111950 0.287930
C 1.965728 -0.375205 0.124219
C 0.527336 -0.825611 0.197882
C 2.948268 -1.379327 -0.051674
C 2.371524 0.974720 0.272076
C 3.735774 1.333340 0.184287
C 4.308306 -1.033053 -0.127252
C 4.718401 0.331300 -0.056457
C 5.100347 3.123166 1.191890
C 6.240006 -2.254211 0.727367
C 6.627347 0.448185 -1.556622
H -6.359933 -1.617653 1.277743
H -7.856757 -0.811767 0.794313
H -7.885970 0.807669 -0.869278
H -6.415569 1.646362 -1.375650
H -4.508386 2.140786 -0.665197
H -4.451502 -2.056071 0.551246
H -7.678382 -1.792148 -1.533809
H -6.149362 -2.596932 -1.086611
H -7.680096 -3.080857 -0.290639
H -7.706357 1.804246 1.449777
H -6.200503 2.640816 0.985048
H -7.749611 3.087013 0.201314
H -2.058525 2.146757 -0.689830
H -1.984290 -2.012052 0.546447
H -0.044012 1.057678 -0.407659
H 2.643701 -2.427367 -0.117162
H 1.666756 1.783311 0.494674
H 5.151261 4.218101 1.092957
H 4.824460 2.852058 2.229186
H 6.061976 2.658646 0.920712
H 5.724333 -2.562970 1.656058
H 6.819149 -1.330079 0.904775
H 6.900344 -3.063037 0.379554
H 6.089858 1.062154 -2.302212
H 6.543620 -0.622938 -1.811159
H 7.683471 0.753513 -1.504013


