%chk=000216126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216126

0 1
O -0.294842 -1.734596 0.511466
O -0.269046 -0.750564 2.551044
N -3.784105 -0.565830 0.057762
C 2.601329 -0.165145 0.726225
C 1.812649 -1.303574 1.400586
C 2.736454 -0.422573 2.219860
C 3.728551 -0.549922 -0.184165
C 1.886313 1.056616 0.238378
C 0.340150 -1.194311 1.607276
C 3.501997 -1.431011 -1.251291
C 2.249307 2.322245 0.719851
C 5.006185 -0.009734 0.020658
C 0.876713 0.936879 -0.728062
C -4.704318 -0.149165 1.167529
C -4.137088 0.047908 -1.271705
C -6.151859 -0.541093 0.797892
C -5.581772 -0.367114 -1.637739
C -2.350168 -0.390079 0.435756
C -6.578207 0.045916 -0.550975
C -1.755761 -1.803367 0.515973
C 4.553577 -1.773246 -2.105473
C 1.601025 3.462255 0.236110
C 6.053295 -0.355997 -0.837725
C 0.234558 2.080268 -1.209131
C -4.613530 1.339226 1.547277
C -3.178534 -0.446781 -2.365954
C 5.829456 -1.238022 -1.899858
C 0.595161 3.343549 -0.728227
H 2.118218 -2.337794 1.173373
H 2.295291 0.282122 2.928718
H 3.657111 -0.846480 2.617734
H 2.506886 -1.843986 -1.414267
H 3.034597 2.416634 1.467576
H 5.179441 0.681029 0.843737
H 0.593745 -0.052351 -1.094195
H -4.398327 -0.758000 2.062399
H -4.081283 1.167013 -1.222692
H -6.840874 -0.214598 1.597091
H -6.222046 -1.646725 0.758331
H -5.622291 -1.465499 -1.779615
H -5.860790 0.082296 -2.607196
H -2.215468 0.123618 1.416228
H -1.776801 0.221151 -0.294218
H -6.642396 1.148641 -0.485811
H -7.593877 -0.304000 -0.813934
H -2.080259 -2.346348 1.417683
H -1.944847 -2.404561 -0.391438
H 4.377659 -2.457493 -2.934047
H 1.881539 4.445024 0.611484
H 7.045298 0.063804 -0.679136
H -0.545726 1.988569 -1.962803
H -4.903980 1.991533 0.717641
H -3.596618 1.617985 1.845721
H -5.272463 1.570734 2.390021
H -3.490658 -0.091025 -3.352738
H -2.151839 -0.101484 -2.199368
H -3.148605 -1.543024 -2.401329
H 6.646534 -1.506085 -2.566768
H 0.094042 4.233165 -1.104620


%chk=000216126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216126

0 1
O -0.391165 -2.157584 0.266099
O -0.179262 -0.826097 2.179087
N -3.822292 -0.579769 -0.169300
C 2.662015 -0.292468 0.758400
C 1.803894 -1.590730 0.960472
C 2.790919 -1.116330 2.036681
C 3.781376 -0.388326 -0.265293
C 1.979383 1.063116 0.795003
C 0.346598 -1.464575 1.235131
C 3.594474 -1.010010 -1.524777
C 2.089641 1.921327 1.915122
C 5.036530 0.206514 0.024319
C 1.249511 1.508920 -0.337695
C -4.199467 0.685356 0.544027
C -4.648473 -0.889867 -1.374011
C -5.689383 0.627344 0.957087
C -6.149495 -0.914750 -0.984189
C -2.356284 -0.740725 -0.317444
C -6.605688 0.367004 -0.258011
C -1.880241 -2.039048 0.368150
C 4.641052 -1.041524 -2.474703
C 1.482168 3.197379 1.908423
C 6.083311 0.175978 -0.921987
C 0.636851 2.779839 -0.345862
C -3.868779 1.985039 -0.250526
C -4.273622 -2.250303 -1.999229
C 5.888892 -0.448342 -2.177065
C 0.752473 3.631275 0.778702
H 2.081435 -2.445447 0.339245
H 2.328673 -0.725455 2.948427
H 3.697184 -1.711923 2.178067
H 2.629294 -1.473455 -1.761505
H 2.645425 1.587290 2.798572
H 5.187351 0.696088 0.993908
H 1.167094 0.858250 -1.216678
H -3.593259 0.700301 1.471166
H -4.506150 -0.104017 -2.162307
H -5.965806 1.571265 1.465247
H -5.815585 -0.196052 1.686763
H -6.310992 -1.786846 -0.318598
H -6.750523 -1.079055 -1.900113
H -1.835773 0.101597 0.174304
H -2.031291 -0.738549 -1.379252
H -6.575842 1.228335 -0.954932
H -7.657581 0.265083 0.071020
H -2.176396 -2.031574 1.430817
H -2.258656 -2.941574 -0.133508
H 4.482468 -1.527735 -3.443999
H 1.574416 3.849194 2.784542
H 7.048308 0.637525 -0.683499
H 0.075952 3.110251 -1.227936
H -4.459526 2.064828 -1.180183
H -2.797176 2.025190 -0.520268
H -4.089084 2.874301 0.368812
H -4.926897 -2.446495 -2.869296
H -3.229216 -2.286918 -2.355297
H -4.424457 -3.062933 -1.264584
H 6.701073 -0.473200 -2.912229
H 0.279302 4.619688 0.773583


