%chk=000007172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007172

0 1
 O   -1.533000       2.357300     -0.3662000    
 O    3.825700     -0.8716000     -0.2084000    
 N   -2.446700      -1.171300      0.4072000    
 C   -1.437000       1.095700      0.3086000    
 C   -2.482800      0.1224000     -0.2709000    
 C  -4.6000000E-02  0.5759000      0.1724000    
 C   0.7507000      0.4080000       1.305100    
 C   0.4583000      0.2569000      -1.088500    
 C    2.051700     -7.8599997E-02   1.177000    
 C    1.759200     -0.2299000      -1.216500    
 C    2.555900     -0.3975000     -8.3899997E-02
 C   -3.456300      -2.067200     -0.1359000    
 H   -1.671800       1.288600       1.363000    
 H   -2.334300     -2.2000000E-03  -1.350800    
 H   -3.475400      0.5785000     -0.1581000    
 H   0.3722000      0.6515000       2.294200    
 H  -0.1400000      0.3911000      -1.985300    
 H   -2.611500      -1.038200       1.404500    
 H    2.662200     -0.2047000       2.067100    
 H    2.147600     -0.4742000      -2.201500    
 H   -2.443700       2.679100     -0.2540000    
 H   -4.466100      -1.666400      3.0000001E-04
 H   -3.404900      -3.030300      0.3816000    
 H   -3.286700      -2.257700      -1.200700    
 H    4.230700     -0.9237000      0.6745000    


%chk=000007172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000007172

0 1
O -1.629939 1.992299 -1.253556
O 4.080894 -0.547222 -0.128709
N -2.723173 -0.845147 0.956110
C -1.473252 1.026951 -0.149414
C -2.504237 -0.125805 -0.312871
C -0.012897 0.579143 -0.150839
C 0.396546 -0.552889 0.597629
C 0.963982 1.308284 -0.876173
C 1.751074 -0.950122 0.620637
C 2.318674 0.918881 -0.861482
C 2.711828 -0.210342 -0.109690
C -3.607515 -2.021349 0.852464
H -1.697162 1.543474 0.816397
H -2.134476 -0.842991 -1.068919
H -3.453751 0.314709 -0.721363
H -0.361217 -1.119741 1.150525
H 0.646305 2.175036 -1.461080
H -3.009351 -0.207136 1.711115
H 2.054113 -1.830139 1.204357
H 3.077326 1.473813 -1.421632
H -2.566352 2.314812 -1.264167
H -4.617788 -1.798231 0.430461
H -3.743275 -2.474170 1.850273
H -3.135944 -2.779872 0.200911
H 4.247587 -1.350747 0.423813


