%chk=000155486.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155486

0 1
 O   -2.192300      0.3644000       2.231200    
 O   -3.076100      -2.847300     -0.9352000    
 O    3.326200       1.376100      -1.663300    
 O    4.273000     -0.5330000      0.1207000    
 N   -2.617600      -1.200900      0.6088000    
 C   -1.251500      0.7952000      3.0099999E-02
 C   -1.887700      0.5536000      -1.357500    
 C   -1.405000       2.292900      0.3841000    
 C   0.2452000      0.4378000      5.2200001E-02
 C   -1.889800     -0.9242000      -1.717400    
 C   -2.068900     -1.1000000E-03   1.060500    
 C   -2.594700      -1.746100     -0.6694000    
 C   -2.862700       2.701900      0.4115000    
 C    1.118600       1.073800     -0.8236000    
 C   0.7123000     -0.5187000      0.9474000    
 C    2.475000      0.7495000     -0.8040000    
 C    2.068700     -0.8430000      0.9670000    
 C    2.950100     -0.2089000      9.1499999E-02
 C    4.677200      -1.522200       1.065300    
 H   -1.375200       1.119000      -2.144400    
 H   -2.935900      0.8739000      -1.376500    
 H  -0.8785000       2.936900     -0.3305000    
 H  -0.9603000       2.497800       1.367300    
 H  -0.8732000      -1.313300      -1.835100    
 H   -2.412400      -1.064200      -2.670400    
 H   -3.110500      -1.747500       1.309800    
 H   -3.280900       2.794400     -0.5955000    
 H   -3.516200       2.054900      0.9999000    
 H   -2.938700       3.702600      0.8543000    
 H   0.7674000       1.821100      -1.529400    
 H   6.8400003E-02  -1.038900       1.647900    
 H    2.367000      -1.595900       1.688400    
 H    4.223000       1.030100      -1.511800    
 H    4.213600      -2.492500      0.8570000    
 H    4.506100      -1.190600       2.095100    
 H    5.758000      -1.655200      0.9500000    


%chk=000155486-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155486

0 1
O -2.320725 -0.050016 2.168828
O -3.184632 -2.790396 -1.445123
O 3.176071 0.516366 -2.104940
O 4.293559 -0.603070 0.056778
N -2.705891 -1.343666 0.299978
C -1.344833 0.759266 0.031864
C -1.956523 0.705893 -1.398136
C -1.417866 2.204546 0.633651
C 0.146928 0.315813 0.058898
C -1.958191 -0.720809 -1.981323
C -2.150986 -0.206803 0.928628
C -2.660853 -1.710509 -1.066193
C -2.820052 2.849099 0.678059
C 0.994003 0.576937 -1.051087
C 0.714294 -0.260843 1.222236
C 2.359241 0.254491 -1.000489
C 2.089520 -0.591898 1.280136
C 2.913288 -0.336691 0.169807
C 4.962914 -1.213379 1.207165
H -1.410942 1.391452 -2.069620
H -2.995537 1.080249 -1.352549
H -0.726454 2.838320 0.044511
H -1.012117 2.154118 1.660027
H -0.921704 -1.080248 -2.132274
H -2.459659 -0.766511 -2.962887
H -3.200161 -1.995983 0.922521
H -3.240167 3.021742 -0.329234
H -3.527546 2.226061 1.253608
H -2.761924 3.831871 1.180188
H 0.624246 1.036789 -1.971932
H 0.089617 -0.448978 2.100852
H 2.497594 -1.041505 2.190466
H 4.100637 0.222227 -1.887734
H 4.523914 -2.202237 1.439829
H 4.898914 -0.556463 2.095452
H 6.013721 -1.332833 0.906039


