%chk=000012858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012858

0 1
 O    2.989300       1.146300      0.1584000    
 O  -0.8139000      -2.231700     -0.3185000    
 C   -2.098400     -0.2850000     -6.4099997E-02
 C  -0.8368000      -1.000700     -0.1670000    
 C    2.935100     -0.1709000     -1.8000000E-03
 C   -2.183200       1.042800     -0.4829000    
 C   -3.223900     -0.9263000      0.4532000    
 C   0.4441000     -0.2223000     -5.4299999E-02
 C    1.630000     -0.8455000     -0.1163000    
 C   -3.393600       1.729200     -0.3845000    
 C   -4.434300     -0.2401000      0.5513000    
 C    4.127500     -0.7811000     -4.3099999E-02
 C   -4.519200       1.087600      0.1325000    
 C    5.059700      0.2729000      0.1090000    
 C    4.317600       1.424800      0.2279000    
 H   -1.342600       1.569400     -0.9245000    
 H   -3.176900      -1.959100      0.7888000    
 H   0.3983000      0.8454000      0.1250000    
 H    1.671000      -1.921400     -0.2698000    
 H    4.342200      -1.833400     -0.1637000    
 H   -3.462400       2.760500     -0.7180000    
 H   -5.310600     -0.7392000      0.9545000    
 H   -5.462000       1.621500      0.2073000    
 H    6.137600      0.2021000      0.1296000    
 H    4.570400       2.466800      0.3604000    


%chk=000012858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012858

0 1
O 3.077346 1.138177 -0.091835
O -0.813269 -2.233862 0.226072
C -2.121351 -0.212284 0.074820
C -0.813961 -0.959418 0.120294
C 2.964366 -0.276210 0.011392
C -2.218493 1.198072 -0.079736
C -3.317900 -0.972669 0.189984
C 0.459593 -0.204523 0.043612
C 1.659820 -0.872198 0.073685
C -3.481347 1.828313 -0.117875
C -4.577099 -0.344200 0.153577
C 4.251629 -0.824067 0.031731
C -4.663383 1.061216 -0.000852
C 5.191960 0.262140 -0.060365
C 4.446189 1.431174 -0.132854
H -1.319841 1.815182 -0.174739
H -3.222147 -2.057366 0.306001
H 0.450768 0.885963 -0.033031
H 1.627259 -1.967277 0.153187
H 4.482854 -1.885280 0.104619
H -3.543768 2.915418 -0.238786
H -5.490403 -0.942415 0.244260
H -5.642216 1.553108 -0.030120
H 6.277454 0.191007 -0.071439
H 4.700940 2.484599 -0.212201


