%chk=000051432.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051432

0 1
 O   -2.446200     -0.7625000     -0.7734000    
 O   -1.378300      0.4429000      -2.398800    
 N   0.9665000     -0.9931000       1.074400    
 C  -0.5749000      0.5241000     -8.7700002E-02
 C   -1.485300      0.2143000       1.104100    
 C   -2.260800     -0.9960000      0.6274000    
 C  -0.2961000       2.028200     -0.2004000    
 C   -1.480300      9.4999999E-02  -1.231100    
 C   0.7298000     -0.2836000     -5.0099999E-02
 C   -3.609100      -1.148700       1.305800    
 C   0.5693000       2.508200      0.9246000    
 C    1.579000     -0.2472000      -1.142200    
 C    2.752500     -0.9900000      -1.076000    
 C    2.117000      -1.702700       1.102300    
 C    1.782900       3.045400      0.7569000    
 C    3.034100      -1.734400      6.4199999E-02
 H   -2.186000       1.046600       1.261700    
 H  -0.9872000      4.5499999E-02   2.063900    
 H   -1.685400      -1.921600      0.7436000    
 H   -1.235200       2.597300     -0.1876000    
 H   0.1711000       2.267300      -1.165100    
 H   -4.243300     -0.2731000       1.128800    
 H   -4.145800      -2.009600      0.8931000    
 H   -3.495800      -1.290700       2.384600    
 H   0.1741000       2.433800       1.934300    
 H    1.360100      0.3338000      -2.030800    
 H    3.446600     -0.9886000      -1.911000    
 H    2.289600      -2.265800       2.013500    
 H    2.356400       3.383900       1.612700    
 H    2.224500       3.155000     -0.2274000    
 H    3.942700      -2.320700      0.1379000    


%chk=000051432-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051432

0 1
O -2.458956 -0.795144 -0.809488
O -1.310609 0.387192 -2.441543
N 1.046256 -1.007469 1.088351
C -0.573951 0.516361 -0.038872
C -1.484958 0.187351 1.169179
C -2.330849 -1.010496 0.688706
C -0.244671 2.039203 -0.182631
C -1.444824 0.063975 -1.247174
C 0.726258 -0.320443 -0.048065
C -3.735436 -1.121249 1.269082
C 0.584964 2.578280 0.963082
C 1.558072 -0.337751 -1.198009
C 2.763183 -1.068441 -1.159924
C 2.215414 -1.711287 1.112700
C 1.762359 3.235846 0.824029
C 3.107752 -1.767392 0.020785
H -2.146047 1.047241 1.387246
H -0.897619 -0.073268 2.062225
H -1.767873 -1.954800 0.806940
H -1.211718 2.581305 -0.232630
H 0.264972 2.212473 -1.147123
H -4.308131 -0.195472 1.084516
H -4.283652 -1.966539 0.819739
H -3.676051 -1.286118 2.360604
H 0.175318 2.424441 1.973350
H 1.249424 0.195623 -2.102644
H 3.419325 -1.097137 -2.036299
H 2.431153 -2.245826 2.045053
H 2.312786 3.618772 1.690704
H 2.210209 3.408985 -0.162635
H 4.034400 -2.345214 0.092945