%chk=000208737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208737

0 1
O 3.732667 -0.679351 -1.134242
N -3.274236 0.803796 -0.482609
C -0.997080 -0.161860 -0.356931
C -2.114450 0.590163 0.450574
C -1.282555 0.234974 -1.835282
C -1.651241 1.970956 0.943360
C -2.688807 0.866859 -1.863449
C 0.423192 0.228161 0.019709
C -1.180559 -1.690657 -0.174054
C -0.404291 1.816057 1.816205
C 0.705978 1.151104 1.052049
C -0.886734 -2.167049 1.254423
C -4.293322 -0.279333 -0.356996
C 1.481614 -0.352164 -0.685617
C 2.034252 1.458155 1.369476
C 2.806478 -0.022192 -0.347630
C -1.168604 -3.657980 1.421335
C 3.103226 0.877196 0.680684
C 5.133386 -0.418110 -0.884103
H -2.423676 -0.017540 1.335961
H -1.215791 -0.632713 -2.509063
H -0.528455 0.956346 -2.196966
H -2.469626 2.461532 1.502572
H -1.437833 2.635321 0.083041
H -2.631271 1.944213 -2.129938
H -3.339299 0.388150 -2.617041
H -0.525327 -2.232397 -0.882892
H -2.219201 -1.964592 -0.456789
H -0.637042 1.217335 2.721656
H -0.086193 2.810233 2.188580
H -1.492622 -1.584970 1.978567
H 0.171679 -1.953681 1.508976
H -5.108470 -0.092807 -1.073150
H -4.734006 -0.235551 0.651765
H -3.902386 -1.297789 -0.524151
H 1.305999 -1.060491 -1.492414
H 2.247800 2.167266 2.169495
H -2.217963 -3.898731 1.219455
H -0.556222 -4.262030 0.741768
H -0.945810 -3.989525 2.441858
H 4.122508 1.129719 0.945659
H 5.360727 0.637358 -1.058473
H 5.618868 -1.054073 -1.635485
H 5.403897 -0.731609 0.128109


%chk=000208737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208737

0 1
O 3.868199 -0.401614 -1.311453
N -3.108126 0.888145 -0.766118
C -0.966462 -0.253935 -0.419161
C -2.127883 0.535933 0.305864
C -1.261971 0.017039 -1.936030
C -1.658535 1.796517 1.064675
C -2.795045 0.127465 -1.994027
C 0.449787 0.183709 -0.014954
C -1.116583 -1.795150 -0.148706
C -0.475014 1.453571 1.994215
C 0.695813 0.950316 1.163728
C -0.849400 -2.266092 1.298649
C -4.518881 0.903320 -0.365296
C 1.545725 -0.236660 -0.800907
C 2.028835 1.264800 1.509540
C 2.874500 0.082071 -0.438076
C -1.013890 -3.794479 1.449135
C 3.128671 0.837828 0.731322
C 5.259495 -0.092880 -0.980788
H -2.600577 -0.147309 1.053083
H -0.869636 -0.782088 -2.589670
H -0.806087 0.974878 -2.243819
H -2.504635 2.216041 1.643097
H -1.351285 2.560127 0.326369
H -3.149008 0.672132 -2.889853
H -3.269038 -0.887723 -2.010817
H -0.414838 -2.331244 -0.820263
H -2.139270 -2.108223 -0.444626
H -0.796629 0.681978 2.726410
H -0.170347 2.338009 2.584162
H -1.541081 -1.755690 1.998668
H 0.174749 -1.972446 1.598665
H -5.138150 1.301955 -1.189868
H -4.661460 1.565569 0.507521
H -4.916509 -0.109828 -0.097016
H 1.394647 -0.822046 -1.714193
H 2.215679 1.864266 2.409371
H -2.041399 -4.114834 1.191021
H -0.316995 -4.335043 0.780863
H -0.808572 -4.121500 2.485138
H 4.146259 1.102427 1.033690
H 5.439436 1.000239 -0.967951
H 5.855627 -0.556373 -1.780895
H 5.549086 -0.525478 -0.002698


