%chk=000230323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230323

0 1
O 2.981974 0.663945 -0.025937
O 2.358523 -1.539716 -0.042065
N 0.793728 0.229019 -0.020845
C -1.664341 0.296671 0.013442
C -2.900676 -0.401369 0.031079
C -0.444673 -0.484495 -0.001412
C 4.418120 0.277586 -0.083254
C -1.683500 1.726698 0.011195
C -0.488734 -1.865223 0.001816
C -2.916838 -1.831443 0.033896
C -4.124472 0.343833 0.045984
C -1.739475 -2.535774 0.019649
C -2.869695 2.417347 0.025720
C -4.109054 1.715274 0.043373
C 4.742240 -0.111686 -1.513024
C 5.100484 1.547304 0.392794
C 2.062761 -0.364034 -0.033293
H 4.551491 -0.573037 0.622058
H -0.738945 2.272305 -0.002314
H 0.429563 -2.462899 -0.008942
H -3.876048 -2.344264 0.047625
H -5.065459 -0.204807 0.059457
H 0.753955 1.255756 -0.016084
H -1.739453 -3.626550 0.021836
H -2.882791 3.505839 0.024021
H -5.036218 2.286803 0.054696
H 5.816200 -0.278840 -1.652582
H 4.224562 -1.041724 -1.794826
H 4.430117 0.660593 -2.227234
H 6.189846 1.428075 0.414251
H 4.768499 1.823733 1.402545
H 4.869007 2.399979 -0.259927


%chk=000230323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230323

0 1
O 2.966564 0.693874 -0.071396
O 2.385410 -1.593875 -0.021146
N 0.779198 0.159296 -0.032044
C -1.676025 0.269903 0.008797
C -2.951259 -0.419857 0.053443
C -0.462558 -0.527070 0.010822
C 4.424554 0.325401 -0.132209
C -1.685421 1.705046 -0.034915
C -0.533835 -1.928941 0.054097
C -2.988565 -1.851844 0.096706
C -4.162581 0.348950 0.053595
C -1.800200 -2.581501 0.096284
C -2.882454 2.426346 -0.033561
C -4.136629 1.743208 0.011354
C 4.802327 0.010814 -1.586701
C 5.166093 1.525930 0.459944
C 2.057391 -0.380648 -0.042302
H 4.553513 -0.576900 0.494353
H -0.751315 2.278800 -0.071755
H 0.389288 -2.511483 0.055419
H -3.959681 -2.358293 0.130099
H -5.118719 -0.186758 0.088089
H 0.764544 1.179217 -0.052954
H -1.825170 -3.676054 0.129223
H -2.859805 3.520905 -0.067257
H -5.069744 2.316605 0.012261
H 5.878253 -0.234802 -1.651907
H 4.229156 -0.854430 -1.959506
H 4.604940 0.882233 -2.236134
H 6.252128 1.323348 0.479882
H 4.828899 1.726176 1.491187
H 4.992398 2.431300 -0.148071


