%chk=000194256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194256

0 1
O 2.386881 1.979017 0.222744
O 6.273748 -1.748740 -0.919756
N -4.337064 0.496046 -0.936380
C -1.694305 -0.826350 -0.475063
C -2.953084 -1.183410 0.365085
C -3.871415 0.062867 0.424413
C -2.159601 -0.438800 -1.905880
C -0.788447 -2.080444 -0.557372
C -2.583085 -1.703886 1.763038
C -0.972816 0.377301 0.123014
C -3.163388 1.250525 1.111572
C -3.198523 0.696916 -1.881029
C -0.416394 -2.612406 0.832440
C -1.667612 -2.931403 1.661883
C -1.685033 1.350667 0.854435
C 0.401468 0.552040 -0.098276
C -5.356327 -0.443317 -1.491974
C -1.009294 2.470804 1.371693
C 1.040642 1.672259 0.434115
C 0.358263 2.645752 1.177216
C 3.279863 0.939623 -0.054567
C 3.330015 -0.232572 0.706693
C 4.201133 1.219020 -1.080383
C 4.333202 -1.166608 0.435479
C 5.205455 0.296417 -1.346376
C 5.253931 -0.886918 -0.583728
H -3.502042 -1.998853 -0.166945
H -4.787547 -0.183087 1.021371
H -2.582153 -1.324868 -2.412616
H -1.288742 -0.127749 -2.511765
H 0.129665 -1.853533 -1.132269
H -1.311681 -2.871585 -1.127662
H -3.498906 -1.958019 2.326651
H -2.073256 -0.910422 2.344303
H -3.336478 1.180613 2.205534
H -3.660244 2.194150 0.790440
H -2.704878 1.650843 -1.581104
H -3.599345 0.865992 -2.901891
H 0.201825 -1.862257 1.364665
H 0.212319 -3.516099 0.731960
H -2.216552 -3.777520 1.206949
H -1.374458 -3.266336 2.674187
H 0.960543 -0.172434 -0.688910
H -5.744096 -0.027076 -2.435813
H -6.207479 -0.507165 -0.795939
H -4.990572 -1.461397 -1.689412
H -1.563596 3.220599 1.937018
H 0.891105 3.505977 1.573182
H 2.602898 -0.408322 1.498602
H 4.119099 2.150739 -1.639834
H 4.396211 -2.084796 1.011342
H 5.948060 0.465099 -2.124677
H 6.280788 -2.553994 -0.348301


%chk=000194256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194256

0 1
O 2.409498 2.026734 -0.055674
O 6.495989 -1.834652 -0.475634
N -4.455876 0.465058 -0.826632
C -1.752105 -0.806929 -0.548252
C -2.955064 -1.189495 0.373164
C -3.901826 0.040941 0.497308
C -2.332763 -0.386381 -1.943960
C -0.856610 -2.068006 -0.724105
C -2.490172 -1.763237 1.733295
C -0.996783 0.400078 0.049162
C -3.168372 1.213413 1.192912
C -3.380681 0.751060 -1.817357
C -0.376243 -2.660061 0.620866
C -1.576998 -2.998237 1.537160
C -1.696496 1.374667 0.821664
C 0.376750 0.608131 -0.233665
C -5.517588 -0.425852 -1.338270
C -1.000207 2.521588 1.280289
C 1.050337 1.746232 0.254372
C 0.367113 2.721067 1.010358
C 3.359261 0.976347 -0.149222
C 3.350185 -0.150106 0.704501
C 4.404765 1.159057 -1.083035
C 4.386802 -1.104366 0.609558
C 5.442723 0.211520 -1.172319
C 5.431396 -0.923532 -0.328545
H -3.512975 -1.996597 -0.150396
H -4.774054 -0.233825 1.124258
H -2.798453 -1.279237 -2.410006
H -1.508084 -0.061892 -2.609497
H 0.004265 -1.854732 -1.386859
H -1.463103 -2.832961 -1.253068
H -3.376539 -2.035146 2.341851
H -1.934593 -0.991653 2.301550
H -3.237148 1.068354 2.290187
H -3.725235 2.142804 0.967639
H -2.871178 1.685531 -1.518184
H -3.856489 0.943781 -2.796830
H 0.283225 -1.931315 1.133036
H 0.230938 -3.567774 0.436443
H -2.165428 -3.819339 1.076907
H -1.220122 -3.369954 2.517564
H 0.931129 -0.113325 -0.840853
H -5.965600 0.028228 -2.241032
H -6.314040 -0.516961 -0.576944
H -5.189674 -1.459666 -1.609669
H -1.544605 3.272781 1.866018
H 0.906319 3.604224 1.364830
H 2.550179 -0.279555 1.439773
H 4.393292 2.045394 -1.723920
H 4.379603 -1.978560 1.273603
H 6.262250 0.332999 -1.886265
H 6.407787 -2.583744 0.164024


