%chk=000015892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015892

0 1
 O    2.415200      0.1682000      0.4080000    
 O   0.8157000       2.405000      7.5599998E-02
 O    1.257600      -2.347100      0.4759000    
 N   -4.264500     -0.5068000     -0.2324000    
 C    1.064700      3.1800002E-02  0.2782000    
 C   0.2624000       1.160600      0.1110000    
 C   0.4854000      -1.236700      0.3132000    
 C   -1.119200       1.021000     -2.1299999E-02
 C  -0.8963000      -1.376200      0.1808000    
 C   -1.698400     -0.2473000      1.3600000E-02
 C    3.110400      0.7818000     -0.6749000    
 C  -7.4600004E-02   3.505400     -9.8800004E-02
 C    1.755300      -2.969400     -0.7068000    
 C   -3.113700     -0.3903000     -0.1220000    
 H   -1.791700       1.862800     -0.1536000    
 H   -1.340500      -2.369000      0.2098000    
 H    4.098500      0.3178000     -0.7465000    
 H    2.596200      0.6381000      -1.631700    
 H    3.251000       1.847600     -0.4742000    
 H  -0.5860000       3.462000      -1.066500    
 H   0.5355000       4.414800     -0.1038000    
 H  -0.7730000       3.597000      0.7400000    
 H    2.356800      -3.833600     -0.4120000    
 H   0.9282000      -3.316600      -1.334100    
 H    2.389500      -2.278100      -1.270400    


%chk=000015892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015892

0 1
O 2.297152 -0.056274 0.058283
O 0.827325 2.300915 -0.074105
O 0.859144 -2.602886 0.093775
N -4.572893 -0.344966 0.151165
C 0.897941 -0.092675 -0.036392
C 0.103139 1.100150 -0.053444
C 0.237600 -1.355737 0.026441
C -1.303255 1.038781 -0.017113
C -1.176615 -1.415916 0.083168
C -1.941154 -0.230329 0.059726
C 3.046544 0.652017 -1.005158
C 0.070008 3.553559 0.028143
C 2.215147 -2.818612 -0.445726
C -3.378038 -0.297976 0.110094
H -1.912570 1.944928 -0.029298
H -1.651451 -2.398475 0.134564
H 4.105698 0.530768 -0.732231
H 2.852231 0.182248 -1.989337
H 2.771274 1.717791 -1.029600
H -0.594926 3.693689 -0.845436
H 0.832086 4.346066 0.046259
H -0.523835 3.582836 0.961074
H 2.324480 -3.914048 -0.464825
H 2.302167 -2.415944 -1.472784
H 2.977302 -2.357111 0.199856


