%chk=000216346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216346

0 1
O -0.246463 -0.309783 2.751154
N -0.517165 -2.265773 -1.295550
N 0.839546 -2.276262 -1.164494
N -0.093513 4.263811 -1.359388
C -0.566081 0.107135 1.412609
C -0.024376 -0.857695 0.389047
C -2.089724 -0.014371 1.166472
C -0.015711 1.534012 1.336466
C -1.089316 -1.414946 -0.379107
C -2.375661 -0.915890 0.085748
C 1.166485 -1.418216 -0.122950
C -0.317928 2.204670 -0.005070
C -3.119294 0.611377 1.836640
C -3.675655 -1.169620 -0.310802
C 0.297731 3.613185 -0.063671
C -1.185600 -3.057480 -2.352871
C 2.545333 -1.204020 0.316856
C -4.447603 0.350248 1.433309
C -4.718655 -0.518937 0.381523
C -1.696536 -2.152304 -3.468143
C 3.621717 -1.435085 -0.556944
C 2.794471 -0.762213 1.628390
C 0.710939 3.722653 -2.495723
C 0.080698 5.745315 -1.269584
C 4.931577 -1.219620 -0.122083
C 4.106811 -0.549337 2.054139
C 5.176545 -0.775888 1.181363
H -0.433864 2.123186 2.177229
H 1.080047 1.496948 1.514340
H 0.069774 1.581261 -0.836275
H -1.412696 2.271306 -0.171235
H -2.918438 1.292804 2.662457
H -0.500218 -1.246597 2.891080
H -3.898448 -1.848327 -1.128661
H -0.103769 4.224111 0.773888
H 1.397374 3.559797 0.082387
H -0.457147 -3.804107 -2.756739
H -2.021460 -3.630050 -1.887528
H -5.265738 0.842482 1.957424
H -5.749311 -0.705579 0.081982
H -2.394816 -1.389527 -3.097638
H -2.216498 -2.733723 -4.239168
H -0.872894 -1.615965 -3.961724
H 3.429577 -1.786992 -1.571339
H 1.958124 -0.589180 2.314503
H 1.791188 3.918386 -2.433867
H 0.563394 2.631466 -2.553683
H 0.332132 4.152161 -3.436252
H -0.239512 6.201443 -2.219954
H -0.587309 6.136415 -0.485668
H 1.105245 6.081164 -1.054895
H 5.763143 -1.399703 -0.800774
H 4.296494 -0.207906 3.070289
H 6.197855 -0.609138 1.517083


%chk=000216346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216346

0 1
O -0.256104 -0.248008 2.895167
N -0.519383 -2.211302 -1.282621
N 0.874950 -2.235013 -1.161850
N -0.105567 4.311569 -1.393556
C -0.604395 0.098471 1.490033
C -0.039823 -0.871158 0.456056
C -2.127449 -0.053860 1.231535
C -0.114276 1.561055 1.341442
C -1.082229 -1.398002 -0.327671
C -2.393080 -0.929375 0.127475
C 1.169375 -1.406235 -0.086631
C -0.346674 2.180499 -0.052299
C -3.182543 0.543444 1.932435
C -3.715692 -1.188117 -0.284996
C 0.195294 3.623301 -0.114154
C -1.157206 -2.945295 -2.385442
C 2.570656 -1.221287 0.335133
C -4.518305 0.277509 1.524787
C -4.778236 -0.574229 0.425578
C -1.552724 -2.023783 -3.557584
C 3.638302 -1.598028 -0.525456
C 2.875759 -0.676239 1.613000
C 0.597265 3.720748 -2.551045
C 0.138945 5.765835 -1.300263
C 4.977822 -1.424304 -0.122172
C 4.218800 -0.502603 2.011019
C 5.275910 -0.872143 1.147058
H -0.628238 2.160259 2.118587
H 0.964802 1.575295 1.585698
H 0.150656 1.550601 -0.813368
H -1.425322 2.202367 -0.296317
H -2.979563 1.200227 2.785162
H -0.536628 -1.185652 3.057272
H -3.931900 -1.848857 -1.131741
H -0.277680 4.213215 0.696091
H 1.299004 3.611292 0.096990
H -0.424938 -3.700440 -2.713611
H -2.042377 -3.475893 -1.988634
H -5.354058 0.736504 2.064175
H -5.813302 -0.764042 0.120567
H -2.285094 -1.259903 -3.241152
H -2.005258 -2.619799 -4.370495
H -0.663529 -1.507227 -3.957622
H 3.399172 -2.024582 -1.504839
H 2.060689 -0.417147 2.299463
H 1.713141 3.752301 -2.449574
H 0.297094 2.668610 -2.689680
H 0.321072 4.272382 -3.467679
H -0.172447 6.256968 -2.240010
H -0.461733 6.192586 -0.476971
H 1.213121 6.027496 -1.115874
H 5.791101 -1.717165 -0.796107
H 4.440006 -0.085437 3.000127
H 6.317619 -0.736305 1.459163


