%chk=000076058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076058

0 1
 O   -4.652400      0.7207000      0.6816000    
 O   -3.820400       2.345900     -0.6726000    
 N   0.7174000      -2.009600     -0.3871000    
 N  -0.9356000      -2.791600      0.8860000    
 N  -0.2607000      8.6499996E-02  -1.121300    
 C    1.995600      -1.954800      -1.054100    
 C    3.092100      -1.283000     -0.2206000    
 C  -0.2747000      -1.071900     -0.4410000    
 C    2.801300      0.1628000      9.7499996E-02
 C   -1.293200      -1.575700      0.3561000    
 C   0.2741000      -3.021900      0.4211000    
 C   -2.458700     -0.8098000      0.4878000    
 C    3.234100       1.151200     -0.7730000    
 C    2.105800      0.4783000       1.254600    
 C   -2.504500      0.4054000     -0.1957000    
 C   -1.408300      0.7898000     -0.9617000    
 C    2.965000       2.488000     -0.4792000    
 C    1.836700       1.815000       1.548400    
 C    2.266300       2.819800      0.6814000    
 C   -3.679900       1.255000     -0.1082000    
 H    1.853800      -1.435100      -2.009200    
 H    2.287800      -2.985100      -1.288800    
 H    3.243000      -1.836400      0.7159000    
 H    4.045700      -1.352000     -0.7596000    
 H   0.8730000      -3.896700      0.6353000    
 H   -3.270900      -1.178000       1.103900    
 H    3.776400      0.9024000      -1.680700    
 H    1.772200     -0.2943000       1.941500    
 H   -1.413500       1.732000      -1.505000    
 H    3.298500       3.270300      -1.154700    
 H    1.293100       2.073500       2.452400    
 H    2.056300       3.860600      0.9100000    
 H   -5.440900       1.302200      0.7329000    


%chk=000076058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076058

0 1
O -4.935974 0.733339 0.573578
O -4.302885 1.995408 -1.271124
N 0.679660 -1.876936 -0.372800
N -0.812749 -2.458405 1.285804
N -0.601864 -0.088157 -1.482741
C 1.913305 -1.837005 -1.177377
C 3.144908 -1.334765 -0.370933
C -0.427021 -1.039586 -0.532942
C 2.991569 0.093525 0.131778
C -1.351944 -1.412220 0.505039
C 0.388406 -2.696191 0.729546
C -2.574976 -0.721678 0.572738
C 3.249649 1.191534 -0.728569
C 2.555474 0.355441 1.455268
C -2.787338 0.287470 -0.402231
C -1.790975 0.563756 -1.396081
C 3.078362 2.518881 -0.278228
C 2.381733 1.682572 1.910252
C 2.643116 2.768722 1.044313
C -4.033675 1.089940 -0.443978
H 1.706600 -1.159105 -2.023518
H 2.112880 -2.847193 -1.581122
H 3.328398 -2.023239 0.475654
H 4.019845 -1.415946 -1.044490
H 1.084768 -3.458075 1.076397
H -3.330912 -0.942639 1.329729
H 3.587031 1.007388 -1.756646
H 2.353378 -0.481841 2.135141
H -1.984871 1.344233 -2.138127
H 3.283762 3.355935 -0.954897
H 2.043972 1.867223 2.936175
H 2.510145 3.798082 1.395364
H -5.747277 1.303028 0.492930


