%chk=000137353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137353

0 1
 O    1.922100      0.6951000       2.172400    
 O    2.779600      -3.046700     -0.3549000    
 O   -5.127300      -1.000500      0.7665000    
 N    2.339800      -1.141600      0.8626000    
 N   -4.508400     -0.2291000     -0.1845000    
 C    1.130100      0.7940000     -0.1251000    
 C    1.828100      0.2918000      -1.409100    
 C    1.350800       2.320700     -1.3900000E-02
 C  -0.3840000      0.5186000     -0.1414000    
 C    1.762200      -1.223600      -1.520300    
 C    1.840700      0.1434000       1.073100    
 C    2.354400      -1.892700     -0.3067000    
 C    2.826000       2.662400     -2.5800001E-02
 C  -0.9556000     -0.2499000      0.8668000    
 C   -1.168600       1.041400      -1.164000    
 C   -2.327900     -0.4988000      0.8525000    
 C   -2.541100      0.7927000      -1.178300    
 C   -3.120800      2.2700001E-02 -0.1700000    
 H    2.893900      0.5486000      -1.411800    
 H    1.396200      0.7424000      -2.310200    
 H   0.9019000       2.703800      0.9123000    
 H   0.8675000       2.864700     -0.8344000    
 H    2.329400      -1.547500      -2.400200    
 H   0.7324000      -1.575800      -1.640300    
 H    2.758700      -1.586500       1.674800    
 H    3.437800       2.071200      0.6593000    
 H    3.255000       2.590000      -1.030000    
 H    2.948300       3.710700      0.2722000    
 H  -0.3843000     -0.6767000       1.683700    
 H  -0.7417000       1.640900      -1.962200    
 H   -2.755600      -1.101100       1.649600    
 H   -3.148200       1.203600      -1.980800    
 H   -5.086900      0.1391000     -0.9289000    
 H   -5.736500     -0.3626000       1.175500    


%chk=000137353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137353

0 1
O 1.920370 0.305115 2.188694
O 2.837988 -3.126062 -0.761138
O -5.172523 -0.738522 0.974089
N 2.342671 -1.344231 0.635216
N -4.597012 -0.022003 -0.176677
C 1.188398 0.759216 -0.141325
C 1.887923 0.381978 -1.479088
C 1.356271 2.283635 0.182164
C -0.336632 0.450358 -0.157301
C 1.812499 -1.128929 -1.776710
C 1.837146 -0.072846 0.988161
C 2.371339 -1.963925 -0.635886
C 2.806033 2.811167 0.242502
C -1.046018 0.205662 1.047530
C -1.090165 0.508420 -1.359646
C -2.442033 0.014217 1.060586
C -2.485247 0.319137 -1.365413
C -3.176641 0.072400 -0.149004
H 2.949514 0.684758 -1.422910
H 1.447222 0.957274 -2.312467
H 0.866633 2.469719 1.155037
H 0.779271 2.843860 -0.579739
H 2.371907 -1.400146 -2.688093
H 0.762814 -1.443615 -1.935691
H 2.730997 -1.895915 1.411296
H 3.400489 2.259653 0.992420
H 3.322434 2.748436 -0.732543
H 2.802765 3.874953 0.541981
H -0.503031 0.165404 1.998319
H -0.595249 0.707481 -2.316252
H -2.964363 -0.202201 1.995850
H -3.038139 0.374271 -2.311447
H -4.982564 -0.458788 -1.025396
H -5.697067 -0.035232 1.441381


