%chk=000296531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296531

0 1
O 5.070177 2.190876 0.627470
O -1.550993 1.428121 -1.514272
N 0.386134 -0.082561 -0.224714
N -0.957345 -0.277049 -0.038069
C 2.698110 -0.494915 0.109904
C 1.269024 -0.803790 0.407063
C 3.238950 0.733299 0.490560
C 3.492446 -1.464473 -0.530531
C -3.290937 0.177088 -0.418165
C 4.597859 0.967340 0.217165
C 4.836863 -1.198020 -0.792271
C 1.024009 -1.903324 1.396673
C 5.413011 0.020501 -0.417504
C -1.873678 0.551543 -0.754501
C -4.029358 0.999348 0.441138
C -3.873640 -0.954840 -1.000428
C -5.359815 0.678040 0.726043
C -5.205225 -1.268330 -0.713054
C -5.946305 -0.454205 0.150534
H 2.636517 1.506916 0.964109
H 3.052394 -2.410999 -0.833303
H 5.449074 -1.946639 -1.296032
H 0.455630 -1.544681 2.266223
H 0.476513 -2.741969 0.945706
H 1.964829 -2.316776 1.791387
H 6.457998 0.223788 -0.620974
H -3.571948 1.888709 0.876676
H -3.296913 -1.580277 -1.682045
H -1.313372 -0.990120 0.607803
H -5.940848 1.314528 1.392395
H -5.666774 -2.144543 -1.166460
H -6.984653 -0.700181 0.371755
H 6.018866 2.324197 0.385218


%chk=000296531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296531

0 1
O 4.786467 2.475308 -0.176853
O -1.504435 2.015468 -0.044804
N 0.462605 0.020055 0.019747
N -0.889297 -0.248960 0.112531
C 2.760107 -0.621120 0.072505
C 1.319248 -0.974414 0.209136
C 3.137940 0.747699 0.004876
C 3.773024 -1.620278 -0.001354
C -3.265125 0.340350 0.023424
C 4.493711 1.101008 -0.125061
C 5.128205 -1.250576 -0.135695
C 0.882403 -2.393512 0.546909
C 5.504521 0.107530 -0.194517
C -1.828541 0.799957 0.014524
C -4.240482 1.268630 0.470608
C -3.682913 -0.940729 -0.427557
C -5.604727 0.914317 0.495825
C -5.050586 -1.292783 -0.406108
C -6.013678 -0.369865 0.062946
H 2.370675 1.524549 0.052198
H 3.517895 -2.683829 0.023588
H 5.899140 -2.026343 -0.196729
H 0.143044 -2.396073 1.372738
H 0.419024 -2.896993 -0.325454
H 1.726100 -3.013076 0.880032
H 6.561110 0.388588 -0.292932
H -3.903435 2.262086 0.784068
H -2.958995 -1.652620 -0.843388
H -1.236851 -1.197453 0.303712
H -6.349205 1.636323 0.848430
H -5.365602 -2.277993 -0.767058
H -7.074254 -0.644206 0.079245
H 5.759507 2.625558 -0.274032


