%chk=000193302.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193302

0 1
O -5.042581 1.394596 0.227821
O -5.323338 -1.356256 -0.644421
N 2.923124 1.315947 0.010928
N -0.463719 -1.688714 -0.223159
C 2.811429 -0.025082 -0.636170
C 1.953037 -1.055359 0.174297
C 3.788233 -0.289589 1.726837
C 4.251662 -0.624140 -0.738196
C 2.485090 -1.110719 1.627900
C 4.811610 -0.807865 0.694241
C 3.467461 1.190087 1.404265
C 0.503480 -0.710884 0.129943
C 1.693149 2.148921 -0.081308
C 5.150817 0.261937 -1.617845
C -0.142220 0.490633 0.393224
C 0.499608 1.759793 0.812725
C -1.558767 0.279118 0.205331
C 6.448217 -0.437438 -2.014886
C -1.733212 -1.096939 -0.176149
C -2.685049 1.113600 0.306199
C -3.000529 -1.658369 -0.424841
C -3.933165 0.567485 0.050133
C -4.092430 -0.811833 -0.305184
C -5.691575 1.754736 -1.023014
C -6.336388 -1.266063 0.394910
H 2.372646 0.108747 -1.652058
H 2.108399 -2.059297 -0.294713
H 4.207704 -0.367676 2.752420
H 4.168865 -1.625789 -1.222264
H 1.733510 -0.714735 2.335646
H 2.664458 -2.156502 1.928031
H 5.766877 -0.265497 0.812428
H 5.040417 -1.870133 0.881298
H 2.781295 1.607161 2.169079
H 4.394897 1.802386 1.430485
H 1.369820 2.160792 -1.146219
H 2.003271 3.190845 0.162482
H 5.370011 1.211432 -1.087898
H 4.596607 0.564278 -2.528063
H -0.241151 2.585714 0.804845
H 0.832952 1.670813 1.870910
H -0.272461 -2.643980 -0.451007
H 7.033613 -0.734711 -1.137753
H 6.257887 -1.341484 -2.603563
H 7.079643 0.221847 -2.621223
H -2.587425 2.162135 0.578838
H -3.130285 -2.699100 -0.701175
H -6.010264 0.852690 -1.557149
H -5.009448 2.355346 -1.630020
H -6.546648 2.345983 -0.680834
H -6.445019 -0.233110 0.748159
H -6.064988 -1.937770 1.213497
H -7.234127 -1.612088 -0.127158


%chk=000193302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193302

0 1
O -5.126361 1.494132 0.144628
O -5.456978 -1.316434 -0.451691
N 2.939349 1.248486 0.146858
N -0.502627 -1.622635 -0.268692
C 2.885880 -0.004864 -0.644720
C 1.940192 -1.069266 0.005340
C 3.742040 -0.470890 1.726848
C 4.319113 -0.605494 -0.749497
C 2.498023 -1.360293 1.457343
C 4.864936 -0.797397 0.709501
C 3.334965 1.015024 1.564230
C 0.488789 -0.647911 -0.017644
C 1.854292 2.222413 -0.077968
C 5.243261 0.264871 -1.632378
C -0.145312 0.584252 0.210540
C 0.478417 1.912696 0.582402
C -1.575912 0.349299 0.095202
C 6.635463 -0.358972 -1.871188
C -1.771318 -1.043694 -0.209099
C -2.715206 1.190110 0.200858
C -3.051836 -1.610381 -0.379573
C -3.994780 0.641309 0.015451
C -4.166100 -0.760406 -0.253019
C -5.850436 1.718316 -1.126341
C -6.319649 -1.292131 0.751770
H 2.512336 0.251190 -1.654514
H 2.026410 -1.998909 -0.597201
H 4.102109 -0.635594 2.760674
H 4.222663 -1.600052 -1.236563
H 1.717935 -1.150393 2.212437
H 2.774164 -2.426893 1.559405
H 5.721107 -0.117538 0.886933
H 5.235169 -1.827985 0.867669
H 2.499408 1.232969 2.267082
H 4.179388 1.679473 1.847422
H 1.713920 2.313590 -1.172295
H 2.195472 3.212384 0.289773
H 5.338798 1.261076 -1.158546
H 4.750765 0.432222 -2.612910
H -0.214547 2.729841 0.297774
H 0.577866 1.987049 1.686551
H -0.303629 -2.595433 -0.492436
H 7.175723 -0.524542 -0.920523
H 6.552486 -1.337022 -2.383308
H 7.263929 0.297912 -2.500491
H -2.632567 2.260088 0.417372
H -3.215502 -2.671002 -0.594294
H -6.208012 0.760926 -1.547560
H -5.192460 2.227757 -1.856997
H -6.701888 2.369188 -0.872604
H -6.449599 -0.258130 1.118394
H -5.879536 -1.922383 1.548774
H -7.285115 -1.714026 0.431423


