%chk=000196934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196934

0 1
O 0.817205 0.989717 -2.363180
N 2.999666 0.989450 1.050768
N 2.634807 0.167874 -1.245232
N -2.905676 -1.627307 0.181919
C 0.694817 0.717051 0.100635
C 3.130079 -0.189211 0.122626
C 0.733537 -0.715749 0.731223
C 2.178014 -1.276978 0.666766
C 1.657315 1.632719 0.931697
C -0.315736 -1.714470 0.135170
C 4.655579 -0.481519 0.152034
C -0.703538 1.360126 0.053534
C 1.322071 0.648462 -1.311002
C 4.195133 1.864852 0.829223
C 5.293412 0.926805 0.275349
C -1.641793 -0.999979 0.149670
C -1.809821 0.376585 0.105639
C -0.005453 -2.121567 -1.312779
C -0.367917 -2.966656 1.032616
C 5.182685 -1.283490 -1.028622
C -3.225825 0.648094 0.111312
C -3.891674 -0.626380 0.157331
C -3.999789 1.821660 0.079656
C -5.296725 -0.733107 0.175784
C -5.380457 1.711783 0.097869
C -6.020670 0.446189 0.145726
H 0.464060 -0.579765 1.810179
H 2.502493 -1.590422 1.675553
H 2.235260 -2.173896 0.021471
H 1.698602 2.646100 0.483846
H 1.269707 1.746769 1.968315
H 4.866559 -1.051787 1.091847
H -0.799229 1.957214 -0.887960
H -0.827476 2.087830 0.883284
H 3.228816 0.105011 -2.060757
H 4.477594 2.292396 1.812930
H 4.006664 2.710105 0.139069
H 5.654674 1.287743 -0.702234
H 6.170582 0.900089 0.941235
H 1.027634 -2.468095 -1.425605
H -0.667908 -2.920273 -1.659434
H -0.145866 -1.277123 -2.006527
H 0.617697 -3.435236 1.125234
H -0.712207 -2.722387 2.044110
H -1.039759 -3.729531 0.627918
H 4.624838 -2.219295 -1.157854
H 5.125108 -0.734313 -1.976110
H 6.237395 -1.548791 -0.880944
H -3.065885 -2.613218 0.196505
H -3.509716 2.791233 0.038042
H -5.782923 -1.701162 0.209854
H -5.998576 2.606261 0.072763
H -7.109182 0.413987 0.157140


%chk=000196934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196934

0 1
O 0.837649 1.146679 -2.364424
N 3.040106 1.001089 1.049737
N 2.651222 0.205028 -1.219596
N -2.906301 -1.607307 0.144388
C 0.720103 0.733354 0.114889
C 3.149039 -0.170219 0.144603
C 0.745218 -0.730412 0.715723
C 2.213651 -1.275624 0.676708
C 1.681134 1.595622 1.017457
C -0.321585 -1.723861 0.116639
C 4.668117 -0.457660 0.155947
C -0.684993 1.392335 0.094274
C 1.368645 0.719723 -1.295487
C 4.205598 1.896914 0.804178
C 5.296872 0.971647 0.181441
C -1.642628 -0.982949 0.145894
C -1.815587 0.397749 0.120699
C -0.029730 -2.168275 -1.350868
C -0.371033 -2.985528 1.027199
C 5.204122 -1.369366 -0.962016
C -3.243064 0.654332 0.112808
C -3.905805 -0.626493 0.131230
C -4.031469 1.834503 0.092168
C -5.311402 -0.748806 0.136657
C -5.436129 1.718929 0.096544
C -6.069631 0.441463 0.119763
H 0.453829 -0.601806 1.778949
H 2.550580 -1.563901 1.687421
H 2.298323 -2.161295 0.022408
H 1.715428 2.631610 0.613637
H 1.245186 1.647617 2.035635
H 4.863858 -0.943890 1.130571
H -0.749363 2.013852 -0.820863
H -0.779537 2.083617 0.957786
H 3.232047 0.161094 -2.060366
H 4.535581 2.358683 1.752924
H 3.946728 2.722795 0.102305
H 5.537685 1.297234 -0.847622
H 6.237211 0.982043 0.758194
H 0.931197 -2.708747 -1.434699
H -0.825695 -2.855187 -1.694020
H -0.013007 -1.308859 -2.040456
H 0.613792 -3.485602 1.054376
H -0.655012 -2.722833 2.062674
H -1.095801 -3.731292 0.647139
H 4.694228 -2.350099 -0.970628
H 5.091114 -0.917334 -1.966231
H 6.283721 -1.555220 -0.816706
H -3.064909 -2.610912 0.187557
H -3.556483 2.822033 0.068732
H -5.804107 -1.727870 0.151217
H -6.056462 2.622209 0.079410
H -7.164050 0.383595 0.121701


