%chk=000230539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230539

0 1
O 0.907811 -1.883979 -0.638052
N 4.311508 0.847730 0.080694
N 0.852717 0.303065 -1.368717
N -1.180316 -0.917547 -0.881928
C 2.825594 0.682421 0.146334
C 2.334769 0.378392 -1.287467
C 4.814270 1.815720 1.098294
C 5.009037 -0.479980 0.141195
C -1.976253 0.218261 -1.414915
C 0.246152 -0.894474 -0.916650
C 4.571630 1.447273 2.564710
C 6.428839 -0.350463 -0.411903
C -1.894035 -2.043048 -0.328677
C -2.002798 1.440390 -0.522946
C -1.398774 -3.351447 -0.487132
C -3.103892 -1.826078 0.359515
C -2.285330 2.684208 -1.111816
C -1.775884 1.364640 0.856941
C -2.115364 -4.426251 0.038372
C -3.809861 -2.917240 0.870583
C -2.341426 3.836048 -0.324467
C -1.830845 2.521543 1.640928
C -3.323120 -4.217516 0.713362
C -2.113170 3.757829 1.053919
H 2.357238 1.618663 0.515383
H 2.499524 -0.126333 0.836679
H 2.768576 -0.585532 -1.645863
H 2.675085 1.168359 -1.993383
H 5.906159 1.942883 0.919393
H 4.349629 2.801863 0.873958
H 5.035067 -0.904566 1.168252
H 4.437073 -1.204522 -0.483152
H 0.375089 1.192177 -1.219042
H -3.027272 -0.120201 -1.596021
H -1.579279 0.481359 -2.427416
H 3.504651 1.371513 2.798029
H 5.029688 0.484423 2.820137
H 5.000913 2.199866 3.234570
H 6.427437 0.167987 -1.380136
H 7.080414 0.219740 0.258829
H 6.880987 -1.336529 -0.560587
H -0.447899 -3.523746 -1.000906
H -3.492228 -0.820896 0.508734
H -2.465828 2.756132 -2.183167
H -1.557064 0.404459 1.327452
H -1.727781 -5.437890 -0.081941
H -4.746463 -2.748039 1.400748
H -2.563437 4.797823 -0.785188
H -1.654924 2.455183 2.714083
H -3.876975 -5.061884 1.115617
H -2.157042 4.656811 1.665959


%chk=000230539-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230539

0 1
O 1.041614 -1.864004 -0.632814
N 4.406221 0.816246 0.117765
N 0.822979 0.401354 -1.107527
N -1.133308 -0.916848 -0.830912
C 2.928772 0.810809 0.221437
C 2.284218 0.576794 -1.171398
C 5.081273 1.815284 0.981926
C 4.990620 -0.550398 0.147773
C -1.898711 0.209253 -1.414452
C 0.290617 -0.858823 -0.834890
C 5.004154 1.566679 2.514809
C 6.411856 -0.614140 -0.442675
C -1.864816 -2.058961 -0.339596
C -2.075845 1.440597 -0.516846
C -1.326894 -3.376371 -0.354326
C -3.185560 -1.865923 0.158716
C -2.432547 2.682388 -1.102987
C -1.908620 1.367545 0.888538
C -2.101104 -4.459011 0.114958
C -3.951734 -2.960535 0.611473
C -2.635946 3.826153 -0.299354
C -2.109252 2.512249 1.693497
C -3.416874 -4.267799 0.594319
C -2.476224 3.743705 1.103948
H 2.593164 1.790110 0.615061
H 2.546908 0.028720 0.917503
H 2.710428 -0.334438 -1.621762
H 2.519156 1.428917 -1.833557
H 6.142575 1.876733 0.676563
H 4.637542 2.803798 0.753315
H 4.995269 -0.979192 1.180732
H 4.326856 -1.205237 -0.445760
H 0.247417 1.237363 -0.986939
H -2.892291 -0.180527 -1.699399
H -1.406255 0.513554 -2.358360
H 3.954743 1.517471 2.859738
H 5.501564 0.622111 2.800300
H 5.503910 2.388794 3.060831
H 6.418767 -0.192397 -1.463310
H 7.142643 -0.052101 0.167012
H 6.757452 -1.663330 -0.491312
H -0.310421 -3.532588 -0.715572
H -3.614200 -0.860268 0.222213
H -2.555110 2.753681 -2.191628
H -1.616048 0.417002 1.348394
H -1.667531 -5.465491 0.093755
H -4.964823 -2.783341 0.990198
H -2.913137 4.778341 -0.765368
H -1.978765 2.441618 2.779157
H -4.010594 -5.117023 0.949152
H -2.631512 4.630075 1.728855


