%chk=000217158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217158

0 1
O -5.251028 -0.929354 -1.982173
N 1.560994 -1.002305 0.201015
C -0.770070 -0.272288 -0.213059
C -0.185194 -0.825248 -1.546798
C 0.220168 -0.842477 0.849663
C 1.259336 -1.277850 -1.244302
C -0.734891 1.276407 -0.222946
C -2.208538 -0.722970 -0.008165
C 2.420496 0.212066 0.395074
C -1.245027 1.910406 1.077297
C 3.855783 -0.095470 -0.061462
C -3.108752 -0.640063 -1.078091
C -2.667885 -1.182901 1.240042
C -1.103160 3.430288 1.054508
C 4.791681 1.083492 0.229445
C -4.438033 -1.038818 -0.877290
C -3.997631 -1.574527 1.411932
C 6.226676 0.784169 -0.227290
C -4.908886 -1.512318 0.354909
C 7.166672 1.952904 0.059749
H -0.211907 -0.071116 -2.347853
H -0.781295 -1.680382 -1.911866
H -0.092222 -1.861367 1.168608
H 0.268098 -0.215831 1.758383
H 1.989250 -0.798695 -1.922517
H 1.364382 -2.375254 -1.382698
H 0.308361 1.607637 -0.415915
H -1.334265 1.652278 -1.074747
H 2.423763 0.455397 1.480431
H 2.023429 1.110330 -0.131008
H -0.692012 1.494436 1.943570
H -2.307596 1.635973 1.237974
H 4.215257 -1.010442 0.451814
H 3.871345 -0.337959 -1.141356
H -2.809288 -0.271527 -2.056272
H -1.991014 -1.236047 2.089102
H -1.479376 3.875682 1.982516
H -1.667902 3.875592 0.227140
H -0.058180 3.739640 0.942170
H 4.785711 1.313694 1.312429
H 4.421540 1.996708 -0.274531
H -4.332084 -1.933536 2.385939
H 6.236856 0.553402 -1.310471
H 6.599008 -0.128212 0.278995
H -5.939199 -1.817990 0.488072
H 7.210330 2.182051 1.130585
H 6.847575 2.864677 -0.457561
H 8.187707 1.729333 -0.269178
H -6.175483 -1.221014 -1.793814


%chk=000217158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217158

0 1
O -4.873965 -2.384495 -1.749472
N 1.492135 -0.128897 -0.087180
C -0.936534 0.231762 -0.287372
C -0.264856 -0.174479 -1.648060
C 0.266856 0.144239 0.721771
C 1.202548 0.257347 -1.486581
C -1.441018 1.717394 -0.415573
C -2.131254 -0.667088 0.070853
C 2.732069 0.413060 0.499762
C -2.085565 2.346327 0.840063
C 4.006268 -0.059510 -0.229324
C -2.969973 -1.158801 -0.958909
C -2.474397 -0.968328 1.418007
C -2.498719 3.815358 0.599435
C 5.298642 0.431672 0.460473
C -4.106621 -1.938069 -0.654625
C -3.610980 -1.750661 1.715806
C 6.583851 -0.001194 -0.281750
C -4.439878 -2.245724 0.685271
C 7.873855 0.493103 0.407742
H -0.751137 0.304337 -2.517075
H -0.308834 -1.270238 -1.779180
H 0.136896 -0.662033 1.467020
H 0.362249 1.104966 1.282350
H 1.321039 1.358674 -1.663891
H 1.872562 -0.267314 -2.190399
H -0.580867 2.345153 -0.728144
H -2.180395 1.755981 -1.241941
H 2.780872 0.078654 1.555460
H 2.717086 1.537803 0.520217
H -1.378598 2.302226 1.693289
H -2.971984 1.755090 1.137134
H 3.996298 -1.166473 -0.274024
H 3.996908 0.302704 -1.277182
H -2.756228 -0.955439 -2.012502
H -1.858762 -0.589482 2.239877
H -2.972582 4.252436 1.497608
H -3.222236 3.891883 -0.234361
H -1.622795 4.440404 0.340737
H 5.331565 0.046502 1.501324
H 5.279970 1.539345 0.539140
H -3.857564 -1.976161 2.759417
H 6.548630 0.382473 -1.322060
H 6.603882 -1.107323 -0.359613
H -5.322217 -2.855184 0.920504
H 7.949146 0.097691 1.438466
H 7.890618 1.597716 0.471379
H 8.777115 0.172572 -0.143485
H -5.639601 -2.929378 -1.440399


