%chk=000193981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193981

0 1
O -0.118876 0.904817 -0.775127
O -0.011583 0.567070 1.462014
N -3.667445 1.715281 -0.037332
C -2.529564 0.810680 -0.389011
C -4.824069 1.532176 -0.976177
C -4.086159 1.558675 1.395852
C -1.320543 1.727666 -0.622494
C -5.745300 2.751765 -0.914116
C -2.976853 2.022000 2.338482
C 1.672740 -0.396248 -0.003859
C 0.447112 0.377394 0.359194
C 2.938374 0.288711 0.337087
C 1.633126 -1.624209 -0.541333
C 0.415812 -2.367586 -0.907142
C 3.936865 0.446452 -0.636652
C 3.142631 0.776895 1.638200
C 0.210723 -3.652920 -0.377221
C -0.519423 -1.824445 -1.801387
C 5.135778 1.083318 -0.304726
C 4.344799 1.408860 1.961855
C 5.342479 1.562219 0.992761
C -0.925649 -4.380881 -0.736189
C -1.649077 -2.562740 -2.163496
C -1.854718 -3.839365 -1.631692
H -2.290409 0.082210 0.419506
H -2.723414 0.197368 -1.292367
H -4.421000 1.437651 -2.009496
H -5.402739 0.605576 -0.771300
H -4.987872 2.193456 1.552570
H -4.382174 0.515202 1.640808
H -1.167003 2.442853 0.204607
H -1.351521 2.255285 -1.590086
H -6.278523 2.816329 0.041139
H -5.169716 3.681878 -1.020752
H -6.490742 2.722651 -1.714861
H -2.067174 1.405836 2.250607
H -2.679517 3.055875 2.124284
H -3.303438 1.974903 3.381806
H 2.568014 -2.168842 -0.729939
H 3.773355 0.082364 -1.649649
H 2.357825 0.662111 2.390248
H 0.931977 -4.076916 0.319796
H -0.361027 -0.820657 -2.205912
H 5.909670 1.207902 -1.060535
H 4.503895 1.784687 2.971726
H 6.277891 2.056698 1.248313
H -1.087652 -5.373572 -0.318795
H -2.368966 -2.142285 -2.863655
H -2.735920 -4.412551 -1.913855


%chk=000193981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193981

0 1
O -0.090153 1.059036 -0.545525
O -0.224777 -0.035897 1.509510
N -3.743970 1.987437 -0.009016
C -2.604209 1.122996 -0.399015
C -4.645063 2.361584 -1.129945
C -4.450504 1.526270 1.214300
C -1.285518 1.887213 -0.164542
C -5.406061 3.679829 -0.886281
C -3.567538 1.566908 2.476635
C 1.636965 -0.525657 -0.016781
C 0.350436 0.141232 0.408482
C 2.868863 0.283375 0.195770
C 1.678274 -1.822169 -0.468029
C 0.569685 -2.733117 -0.800247
C 4.035353 0.066265 -0.592487
C 2.910090 1.297935 1.194007
C 0.811182 -4.137404 -0.753002
C -0.723912 -2.288938 -1.202390
C 5.207598 0.817364 -0.370428
C 4.081961 2.051701 1.411490
C 5.239073 1.813338 0.634288
C -0.207554 -5.063938 -1.053610
C -1.741191 -3.215674 -1.507229
C -1.493122 -4.606744 -1.428010
H -2.591237 0.186547 0.193746
H -2.672961 0.833867 -1.467030
H -4.016949 2.486073 -2.031843
H -5.377642 1.545815 -1.360161
H -5.321594 2.187711 1.369584
H -4.852561 0.489178 1.077606
H -1.197746 2.178957 0.894815
H -1.213492 2.771968 -0.815110
H -6.107114 3.606280 -0.035758
H -4.692221 4.494436 -0.672184
H -5.997114 3.950510 -1.781013
H -2.683034 0.910631 2.387188
H -3.217626 2.597547 2.666332
H -4.148172 1.227961 3.354663
H 2.679487 -2.263734 -0.576646
H 4.010675 -0.668851 -1.404506
H 2.029701 1.476195 1.822270
H 1.805598 -4.497681 -0.461464
H -0.917779 -1.218472 -1.318822
H 6.092088 0.638477 -0.992171
H 4.094808 2.821290 2.191300
H 6.148496 2.400867 0.801525
H -0.000961 -6.138606 -1.000211
H -2.727231 -2.854579 -1.821342
H -2.286330 -5.323734 -1.667014


