%chk=000290346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290346

0 1
O -0.980928 -1.635070 -0.075814
O -1.845743 2.930138 -0.025974
N -1.790759 0.573336 -0.038569
N 2.478501 -2.180625 1.207528
C 0.541553 0.284391 -0.026871
C 0.265713 1.698879 -0.034016
C 1.823610 -0.187139 -0.001776
C 2.912619 0.772023 0.005033
C 2.625264 2.164459 -0.014476
C -0.762447 -0.453757 -0.041927
C -1.218669 1.903756 -0.032915
C 1.258382 2.626456 -0.029831
C -3.209288 0.301597 -0.031532
C 2.104838 -1.647622 0.010601
C 4.275613 0.352595 0.030888
C 3.699217 3.102194 -0.014178
C 5.295047 1.277795 0.032148
C -4.101784 1.251661 0.496574
C -3.694810 -0.910563 -0.553140
C 5.004954 2.667513 0.007682
C 1.972559 -2.415869 -1.160607
C -5.966177 -0.223789 -0.017409
C -5.470185 0.984684 0.497053
C -5.065794 -1.165198 -0.540370
C 2.222680 -3.789391 -1.084258
C 2.712684 -3.516114 1.260357
C -7.435013 -0.496973 -0.023155
C 2.597067 -4.354075 0.137647
H 1.047706 3.697714 -0.034742
H 4.501201 -0.715372 0.061865
H 3.468007 4.167572 -0.029483
H 6.336312 0.955663 0.055485
H -3.735451 2.201377 0.893491
H -3.008850 -1.660594 -0.953368
H 5.829722 3.380493 0.009228
H 1.665171 -1.953678 -2.096140
H -6.157222 1.726211 0.902519
H -5.435979 -2.107293 -0.942188
H 2.119261 -4.414165 -1.971999
H 2.999148 -3.911942 2.242441
H -7.659583 -1.569404 0.048964
H -7.953067 -0.005478 0.811080
H -7.894473 -0.129708 -0.952940
H 2.788395 -5.420992 0.224594


%chk=000290346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290346

0 1
O -1.006111 -1.689042 0.007101
O -1.838679 2.966889 -0.143950
N -1.794057 0.565819 -0.072245
N 2.922593 -2.141923 1.086893
C 0.542169 0.265316 -0.056474
C 0.260886 1.669630 -0.082263
C 1.854758 -0.219176 0.010264
C 2.931391 0.763676 0.031996
C 2.623721 2.187107 -0.006253
C -0.772469 -0.456738 -0.038263
C -1.210525 1.880490 -0.103807
C 1.258814 2.626210 -0.059614
C -3.209446 0.304625 -0.069520
C 2.153542 -1.688858 0.043845
C 4.311209 0.377724 0.066231
C 3.690175 3.142138 0.003180
C 5.331588 1.334453 0.066464
C -4.087938 1.171186 0.627399
C -3.733903 -0.814142 -0.762924
C 5.023612 2.728186 0.039392
C 1.659658 -2.559186 -0.961002
C -6.020295 -0.195407 -0.070322
C -5.474243 0.917829 0.618230
C -5.122469 -1.056129 -0.751861
C 1.960694 -3.934921 -0.888193
C 3.194252 -3.476701 1.149712
C -7.517960 -0.442894 -0.097583
C 2.739080 -4.410260 0.191230
H 1.012834 3.693486 -0.076308
H 4.563196 -0.683485 0.110723
H 3.439322 4.208772 -0.022498
H 6.378008 1.012006 0.092583
H -3.692836 2.038758 1.160239
H -3.063384 -1.496912 -1.288688
H 5.832652 3.466280 0.044799
H 1.048739 -2.163325 -1.776377
H -6.142491 1.597252 1.160628
H -5.514255 -1.929840 -1.286248
H 1.586747 -4.622251 -1.653900
H 3.799936 -3.797213 2.005213
H -7.750120 -1.517657 -0.198852
H -8.006936 -0.072179 0.820512
H -7.990494 0.077481 -0.953642
H 2.988037 -5.471376 0.291652


