%chk=000100436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100436

0 1
 O    2.361900       1.352000     -0.6214000    
 O   -3.556000     -0.5600000      0.4866000    
 O   -2.878300       1.298200     -0.4754000    
 N  -0.2019000      0.4380000      3.2900002E-02
 N   -1.025800      -1.618500     -0.1236000    
 N   -2.633800      0.1500000     -6.3999998E-03
 C    2.274300      7.6200001E-02  2.7100001E-02
 C   0.8247000     -0.4141000     -2.0800000E-02
 C    3.194100     -0.8690000     -0.7507000    
 C    2.780700      0.2684000       1.461600    
 C   0.3460000      -1.659200     -0.1149000    
 C   -1.323500     -0.3413000     -3.2800000E-02
 C  -0.1623000       1.879300      0.1380000    
 H    2.851900     -0.9981000      -1.784700    
 H    3.256500      -1.858400     -0.2849000    
 H    4.209000     -0.4586000     -0.8115000    
 H    3.800700      0.6694000       1.464900    
 H    2.776400     -0.6763000       2.016200    
 H    2.163500      0.9840000       2.015200    
 H   0.8728000      -2.600000     -0.1758000    
 H   0.6927000       2.200300      0.7336000    
 H  -0.1331000       2.304000     -0.8681000    
 H   -1.038300       2.239000      0.6820000    
 H    2.135600       1.231500      -1.559900    


%chk=000100436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100436

0 1
O 2.562945 1.288996 -0.873327
O -3.681402 -0.690117 -0.284196
O -2.910846 1.311931 0.515906
N -0.238357 0.468257 0.048370
N -1.044643 -1.638104 -0.363482
N -2.730595 0.107710 0.047426
C 2.329383 0.066401 -0.044262
C 0.873311 -0.368089 -0.147324
C 3.261594 -1.062096 -0.536482
C 2.707549 0.495085 1.389988
C 0.338051 -1.651918 -0.396948
C -1.363978 -0.355687 -0.093519
C -0.198701 1.930925 0.290595
H 3.015831 -1.370452 -1.569568
H 3.199734 -1.952961 0.112715
H 4.300629 -0.692756 -0.519454
H 3.758935 0.829149 1.402059
H 2.589762 -0.351288 2.087826
H 2.080064 1.329166 1.742976
H 0.878794 -2.575381 -0.587123
H 0.809443 2.287732 0.038120
H -0.944604 2.430956 -0.343853
H -0.451399 2.150783 1.339966
H 2.446301 1.048559 -1.829209


