%chk=000012572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012572

0 1
 O    1.758200     -0.4033000      0.4548000    
 O   -3.657200      0.7856000      0.7374000    
 O    2.838800       1.134100     -0.8694000    
 N   -1.537600      0.3582000      0.1358000    
 N   -3.218200      -1.261500     -0.3168000    
 N  -0.5356000     -0.5288000      0.3509000    
 N    4.043100     -0.6096000      8.2099997E-02
 C   -1.051600       1.646200      1.6500000E-02
 C   0.3164000       1.568600      9.3900003E-02
 C   -2.891100     -5.5000000E-03  0.1991000    
 C   0.5754000      0.2068000      0.2995000    
 C   -1.907400       2.832900     -0.1907000    
 C   -4.313600      -1.992000      0.3053000    
 C   -2.693300      -1.857200      -1.546300    
 C    2.877600      0.1264000     -0.1642000    
 C    5.308200     -0.1975000     -0.5092000    
 C    4.087700      -1.803300      0.9212000    
 H   0.9974000       2.405500      4.1700002E-02
 H   -2.420200       3.110500      0.7355000    
 H   -1.307500       3.694000     -0.5048000    
 H   -2.654000       2.656200     -0.9716000    
 H   -4.593000      -1.540000       1.261400    
 H   -4.001400      -3.026100      0.4764000    
 H   -5.177300      -1.971700     -0.3656000    
 H   -1.970700      -1.188600      -2.020800    
 H   -3.521900      -2.026900      -2.239900    
 H   -2.213200      -2.808100      -1.300400    
 H    5.686200      -1.011500      -1.134600    
 H    6.021300      9.2000002E-03  0.2940000    
 H    5.194900      0.6993000      -1.123300    
 H    4.788700      -1.626900       1.742200    
 H    4.439900      -2.642900      0.3148000    
 H    3.111400      -2.055200       1.339600    


%chk=000012572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012572

0 1
O 1.832979 -0.413206 0.009923
O -3.712940 0.790418 0.813163
O 3.153884 1.535924 -0.283308
N -1.554691 0.387625 -0.003621
N -3.268976 -1.298244 -0.136692
N -0.485177 -0.532476 0.082022
N 4.119279 -0.582295 0.031364
C -1.108262 1.710852 -0.159242
C 0.288715 1.647021 -0.204239
C -2.917025 -0.023333 0.254356
C 0.606939 0.258599 -0.044521
C -2.006302 2.908059 -0.265068
C -4.577476 -1.809503 0.313508
C -2.502259 -2.196832 -1.021971
C 3.066768 0.296183 -0.096162
C 5.488114 -0.048796 -0.057784
C 3.983817 -2.029241 0.265652
H 0.985092 2.467754 -0.330837
H -2.539706 3.090099 0.682891
H -1.401600 3.793376 -0.521217
H -2.782602 2.773564 -1.039383
H -5.006997 -1.107920 1.043146
H -4.449019 -2.803594 0.780430
H -5.276027 -1.904861 -0.540063
H -1.794753 -1.630703 -1.642062
H -3.219345 -2.724381 -1.678515
H -1.922037 -2.937376 -0.443895
H 6.035751 -0.530965 -0.889917
H 6.038392 -0.238162 0.883750
H 5.440028 1.035432 -0.235685
H 4.471410 -2.307244 1.220150
H 4.471263 -2.594068 -0.552459
H 2.923161 -2.304805 0.310786


