%chk=000201701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201701

0 1
O 6.547451 -0.092356 -0.901850
N -0.609182 0.893109 0.024225
C 1.886028 0.721774 0.363289
C 2.043461 2.013493 -0.476861
C 0.584294 -0.006369 -0.090994
C 0.786347 2.885918 -0.416555
C -0.457346 2.098706 -0.853479
C 3.079060 -0.221195 0.160816
C 1.825546 1.051771 1.863779
C -1.862528 0.138101 -0.310784
C -3.064485 0.860152 0.329774
C 4.310245 0.253554 -0.297603
C 2.954267 -1.588309 0.486158
C -4.321481 0.059099 0.137375
C 5.376884 -0.649511 -0.439170
C 4.028612 -2.464407 0.336723
C 5.264896 -2.010946 -0.134752
C -5.110845 0.244986 -1.008281
C -4.710843 -0.886891 1.098504
C -6.276702 -0.504448 -1.186265
C -5.877550 -1.633538 0.915808
C -6.663134 -1.444551 -0.225776
H 0.729978 -0.399336 -1.120067
H 0.405151 -0.881652 0.572771
H 2.261049 1.744780 -1.528953
H 2.913939 2.595658 -0.118847
H 0.640477 3.263944 0.615823
H 0.910075 3.776695 -1.059424
H -1.364034 2.729797 -0.727747
H -0.388257 1.842562 -1.932635
H 1.792490 0.146286 2.478337
H 2.690383 1.640589 2.183241
H 0.916444 1.626584 2.092015
H -2.026883 0.018033 -1.402590
H -1.793143 -0.888482 0.112209
H -3.174970 1.877147 -0.096968
H -2.857803 1.028057 1.408498
H 4.480494 1.299803 -0.542374
H 2.008623 -1.968069 0.869267
H 3.907860 -3.517689 0.591567
H 6.099442 -2.690479 -0.253422
H -4.815922 0.974203 -1.759447
H -4.103168 -1.038400 1.988456
H 7.270664 -0.759824 -0.981363
H -6.886101 -0.354981 -2.075885
H -6.175826 -2.364419 1.665530
H -7.571355 -2.025949 -0.365576


%chk=000201701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201701

0 1
O 6.408270 -0.272645 -1.489788
N -0.582830 0.908378 0.030398
C 1.911913 0.739538 0.425564
C 2.072275 2.072525 -0.363737
C 0.613935 0.041682 -0.106082
C 0.801295 2.946702 -0.303054
C -0.433270 2.150967 -0.767057
C 3.107202 -0.215812 0.202170
C 1.768494 1.032136 1.948066
C -1.844378 0.183632 -0.249050
C -3.084761 0.863846 0.394817
C 4.243449 0.155352 -0.553154
C 3.086414 -1.517089 0.783790
C -4.354210 0.064790 0.143759
C 5.322836 -0.741919 -0.722728
C 4.163423 -2.407956 0.607845
C 5.296993 -2.031941 -0.148325
C -5.070694 0.206188 -1.073608
C -4.826853 -0.873512 1.097626
C -6.225786 -0.565503 -1.331814
C -5.982145 -1.648044 0.845152
C -6.685830 -1.497413 -0.372238
H 0.791654 -0.253699 -1.173769
H 0.427745 -0.886859 0.463651
H 2.280952 1.838160 -1.428107
H 2.940742 2.640663 0.021895
H 0.630019 3.314561 0.725145
H 0.929247 3.834499 -0.952078
H -1.342974 2.766812 -0.652382
H -0.328564 1.909982 -1.859794
H 1.759434 0.096084 2.534285
H 2.615023 1.645444 2.308063
H 0.822287 1.561808 2.147758
H -2.023019 0.063484 -1.348369
H -1.755466 -0.836736 0.169778
H -3.197780 1.885447 -0.014723
H -2.887686 0.965322 1.477561
H 4.328433 1.138377 -1.022098
H 2.226830 -1.836893 1.382989
H 4.126732 -3.404269 1.062501
H 6.135942 -2.726967 -0.283530
H -4.724446 0.933170 -1.819595
H -4.288363 -0.991389 2.046593
H 7.116741 -0.960471 -1.550302
H -6.768320 -0.439015 -2.275864
H -6.335125 -2.363386 1.597033
H -7.583176 -2.095034 -0.568697


