%chk=000217787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217787

0 1
O 2.809399 1.769904 -1.775123
O -2.026988 1.416599 -1.123919
N 1.950857 0.734496 0.129282
N -2.363211 1.209143 1.123571
N -4.225220 -1.932083 -0.790236
C -0.146754 1.938785 0.321701
C 0.694123 0.788858 0.933746
C 0.590266 2.364318 -0.956493
C 1.915032 1.629213 -0.973354
C -1.577968 1.487432 0.008226
C 3.001235 -0.171319 0.474591
C -3.744275 0.684015 0.970628
C -3.853710 -0.792035 1.370724
C -3.244710 -1.754956 0.333242
C 4.198227 -0.183154 -0.271663
C 2.846032 -1.051571 1.564748
C 5.218728 -1.064621 0.077369
C 3.884515 -1.926120 1.896284
C 5.070944 -1.939097 1.160776
C -3.915150 -1.016045 -1.927025
C -4.249138 -3.348582 -1.263455
H -0.187125 2.801630 1.029598
H 0.165750 -0.188449 0.874788
H 0.930288 0.990097 2.000025
H 0.003964 2.106435 -1.873770
H 0.749029 3.456995 -1.012944
H -1.977374 1.195322 2.059448
H -4.065724 0.809448 -0.101012
H -4.424974 1.308173 1.589741
H -4.931286 -1.040746 1.495922
H -3.385917 -0.968063 2.356111
H -2.257727 -1.379403 -0.009521
H -3.048790 -2.729504 0.829313
H 4.329449 0.492647 -1.123972
H 1.936898 -1.071505 2.155461
H 6.142182 -1.070634 -0.502751
H 3.761395 -2.605010 2.739845
H -4.759090 -1.028573 -2.632995
H -2.993955 -1.252633 -2.478855
H -3.812170 0.024148 -1.549942
H -4.571378 -3.999515 -0.435822
H -3.293146 -3.724184 -1.655788
H -5.005503 -3.443793 -2.059775
H 5.873674 -2.622361 1.424969


%chk=000217787-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217787

0 1
O 3.004059 2.994749 -0.283941
O -1.427633 -0.015620 -1.044271
N 2.355580 0.763043 0.267067
N -2.456738 1.132044 0.710072
N -4.603548 -1.899729 -0.725110
C 0.003711 1.110484 0.602412
C 1.084597 0.011281 0.435447
C 0.613391 2.324913 -0.148894
C 2.130436 2.111741 -0.063726
C -1.350716 0.677351 0.018609
C 3.617735 0.097836 0.333892
C -3.852792 0.921580 0.271749
C -4.585256 -0.172724 1.083245
C -4.140491 -1.589256 0.648014
C 4.843171 0.823501 0.319737
C 3.654955 -1.322291 0.422249
C 6.067917 0.129694 0.399120
C 4.889733 -1.999538 0.502888
C 6.105719 -1.280864 0.494527
C -3.649180 -2.703734 -1.515572
C -5.978049 -2.429423 -0.767428
H -0.096721 1.365429 1.674849
H 0.859186 -0.599339 -0.459844
H 1.142211 -0.647879 1.318928
H 0.322158 2.317427 -1.216717
H 0.338795 3.304119 0.273158
H -2.301905 1.660671 1.571420
H -3.828190 0.609462 -0.786884
H -4.387831 1.887324 0.344025
H -5.674805 -0.062011 0.919610
H -4.407608 -0.032001 2.169356
H -3.036085 -1.633837 0.661002
H -4.502643 -2.344641 1.389120
H 4.820747 1.911215 0.235168
H 2.730091 -1.906279 0.410974
H 7.002095 0.702511 0.386371
H 4.897096 -3.093478 0.566897
H -4.023958 -2.802851 -2.550945
H -3.489316 -3.736076 -1.111965
H -2.680277 -2.177496 -1.553680
H -6.669195 -1.746839 -0.240556
H -6.076258 -3.442889 -0.299002
H -6.316587 -2.504846 -1.816584
H 7.063100 -1.809033 0.556909


