%chk=000233354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233354

0 1
O -5.090847 1.329469 1.468265
N 2.186583 0.100790 -0.274540
N -0.602563 -0.725360 -0.361529
C 1.674549 -0.925073 0.690743
C 0.488765 -1.678637 0.025636
C 1.093220 1.060753 -0.640572
C -0.057063 0.291443 -1.318155
C 3.424365 0.831494 0.192102
C -1.757055 -1.475276 -0.960084
C 1.266141 -0.380466 2.068049
C -3.002192 -0.575864 -1.065469
C 3.987593 1.645596 -0.986380
C 4.495363 -0.158082 0.676254
C -3.484542 -0.101958 0.308580
C -4.726231 0.782223 0.190764
H 2.496661 -1.677009 0.831171
H 0.877237 -2.259378 -0.839360
H 0.071323 -2.405095 0.753934
H 1.496591 1.809355 -1.356953
H 0.704796 1.621461 0.237827
H -0.872943 1.001436 -1.573850
H 0.303584 -0.158783 -2.268664
H 3.181195 1.534883 1.032570
H -1.524702 -1.900134 -1.960998
H -1.986959 -2.337832 -0.295918
H 1.032162 -1.193194 2.761677
H 2.052954 0.228073 2.520749
H 0.361771 0.239805 1.991180
H -3.804828 -1.139039 -1.580079
H -2.781543 0.300688 -1.707169
H 4.932886 2.126073 -0.718114
H 4.172932 0.998776 -1.853797
H 3.295008 2.429864 -1.311374
H 4.682100 -0.937075 -0.073975
H 4.210281 -0.654130 1.609448
H 5.446062 0.354516 0.857713
H -2.667448 0.459080 0.814678
H -3.685842 -0.968455 0.965071
H -4.543214 1.691333 -0.412735
H -5.594908 0.236647 -0.217903
H -5.201542 0.619682 2.128006


%chk=000233354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233354

0 1
O -5.113011 1.496103 1.445324
N 2.179804 0.124776 -0.261953
N -0.584475 -0.785966 -0.388616
C 1.681513 -0.945910 0.661111
C 0.529873 -1.700600 -0.041420
C 1.078286 1.040139 -0.658750
C -0.082670 0.264287 -1.304653
C 3.412122 0.845298 0.198574
C -1.760144 -1.518062 -0.918440
C 1.251236 -0.460808 2.075502
C -3.034863 -0.651892 -1.027165
C 3.995534 1.712050 -0.943994
C 4.497879 -0.145375 0.678433
C -3.455403 -0.011524 0.314312
C -4.726549 0.843278 0.181376
H 2.502126 -1.677506 0.776114
H 0.944874 -2.199121 -0.954665
H 0.144002 -2.486654 0.635181
H 1.459183 1.759851 -1.402876
H 0.685255 1.629200 0.206251
H -0.897618 0.973543 -1.536389
H 0.272865 -0.181687 -2.270024
H 3.170675 1.530686 1.053197
H -1.542320 -1.968142 -1.923240
H -1.960645 -2.360768 -0.226998
H 1.075542 -1.331523 2.734771
H 2.031367 0.164008 2.547283
H 0.313381 0.117673 2.025614
H -3.850672 -1.299006 -1.410379
H -2.894899 0.141770 -1.788301
H 4.960330 2.148328 -0.627642
H 4.167855 1.086245 -1.838531
H 3.337252 2.551420 -1.227239
H 4.714582 -0.887129 -0.112565
H 4.209728 -0.685998 1.596759
H 5.428569 0.406632 0.900369
H -2.628380 0.609381 0.703372
H -3.625133 -0.815969 1.062457
H -4.559914 1.684051 -0.514435
H -5.566863 0.229165 -0.212811
H -5.210574 0.798354 2.141886


