%chk=000201319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201319

0 1
O 1.840554 -1.856667 -1.443356
O 0.193438 1.609927 -1.027418
N 3.881676 1.466076 2.563929
C -2.581959 -1.282232 -0.349941
C -3.073334 -0.233969 0.656769
C -1.066528 -1.495810 -0.234619
C -4.596396 -0.065365 0.600328
C -0.543162 -2.403330 -1.353792
C -5.080452 1.007365 1.586253
C 0.881074 -2.900856 -1.111466
C -6.596858 1.180568 1.534374
C 2.275560 -1.067120 -0.382408
C 2.063267 0.323261 -0.481282
C 1.298077 0.896225 -1.640807
C 2.995018 -1.622834 0.682463
C 2.574124 1.154180 0.515700
C 3.290598 0.603655 1.599734
C 3.499847 -0.789060 1.678395
C -0.793256 2.074092 -1.985147
C -1.860753 2.718905 -1.119178
H -3.111881 -2.240186 -0.188369
H -2.840981 -0.961369 -1.377285
H -2.759331 -0.513432 1.679997
H -2.575226 0.743272 0.444764
H -0.542541 -0.513192 -0.274441
H -0.820791 -1.922109 0.755741
H -4.910185 0.200758 -0.427125
H -5.091596 -1.029858 0.823738
H -1.209664 -3.280403 -1.476414
H -0.577314 -1.858459 -2.319063
H -4.586176 1.973335 1.364451
H -4.770055 0.739215 2.615196
H 1.166192 -3.689437 -1.833958
H 1.036821 -3.262521 -0.083418
H -7.117839 0.250407 1.788299
H -6.932283 1.947661 2.241123
H -6.934890 1.482745 0.536776
H 0.909775 0.102474 -2.310142
H 1.906005 1.613487 -2.221539
H 3.164914 -2.696570 0.723097
H 2.401922 2.228146 0.450954
H 4.066850 -1.213515 2.502922
H -0.312978 2.792269 -2.671724
H -1.179209 1.209325 -2.553254
H 3.439485 2.370150 2.662733
H 4.062212 1.047565 3.465935
H -2.263276 1.985087 -0.391191
H -1.447527 3.548141 -0.531501
H -2.693767 3.098305 -1.717631


%chk=000201319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201319

0 1
O 1.118137 -1.137552 -0.549120
O 0.751684 2.074389 -0.266879
N 6.204089 0.937295 0.822415
C -3.195495 -1.540644 -0.141093
C -4.071635 -0.440459 0.499678
C -1.712967 -1.457966 0.283595
C -5.559150 -0.523028 0.089042
C -0.833490 -2.543261 -0.375938
C -6.432086 0.584622 0.722099
C 0.647962 -2.420761 -0.005354
C -7.918414 0.488298 0.314526
C 2.394795 -0.682539 -0.163265
C 2.713996 0.656862 -0.527991
C 1.698486 1.505286 -1.254542
C 3.344699 -1.468270 0.528031
C 3.982702 1.173071 -0.199108
C 4.950199 0.398186 0.501925
C 4.608417 -0.932971 0.859676
C -0.413746 2.683238 -0.922702
C -1.339368 3.200568 0.178912
H -3.605107 -2.537529 0.127956
H -3.265022 -1.465070 -1.246905
H -3.992705 -0.506607 1.605203
H -3.668119 0.555930 0.220273
H -1.300728 -0.463264 0.027205
H -1.641409 -1.549877 1.387942
H -5.639450 -0.464009 -1.016933
H -5.964226 -1.516209 0.376361
H -1.183770 -3.552224 -0.075106
H -0.928870 -2.484798 -1.478263
H -6.029851 1.576215 0.429566
H -6.345620 0.528957 1.826622
H 1.241804 -3.252530 -0.440691
H 0.781090 -2.426638 1.097600
H -8.351094 -0.481850 0.624413
H -8.520479 1.290917 0.779164
H -8.034220 0.570580 -0.782906
H 1.132038 0.886868 -1.981641
H 2.199222 2.334579 -1.800985
H 3.118385 -2.500717 0.810611
H 4.218991 2.207606 -0.480408
H 5.333413 -1.555849 1.398105
H -0.087920 3.514008 -1.590587
H -0.930449 1.923929 -1.553485
H 6.428143 1.900671 0.595261
H 6.887652 0.392128 1.337652
H -1.658075 2.369409 0.832166
H -0.816346 3.946116 0.802400
H -2.238893 3.673198 -0.257293


