%chk=000031361.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031361

0 1
 O    1.086200      9.2000000E-02 -0.5071000    
 O   -1.100600      0.1083000      0.5006000    
 C  -3.9999999E-04  0.8840000     -1.0000000E-03
 C   0.4644000       1.779000       1.155900    
 C  -0.4495000       1.793600      -1.152800    
 C    1.691900     -0.7847000      0.4326000    
 C   -1.682700     -0.7968000     -0.4272000    
 C    2.810600      -1.542600     -0.2499000    
 C   -2.819700      -1.532900      0.2489000    
 H    1.390000       2.308600      0.9074000    
 H  -0.3073000       2.511600       1.418700    
 H   0.6440000       1.195000       2.065400    
 H   -1.363000       2.341300     -0.8986000    
 H   0.3368000       2.510300      -1.416200    
 H  -0.6469000       1.216600      -2.062800    
 H    2.122600     -0.2196000       1.264200    
 H   0.9534000      -1.490100      0.8266000    
 H   -2.087500     -0.2565000      -1.287900    
 H  -0.9360000      -1.515800     -0.7785000    
 H    3.303000      -2.226000      0.4475000    
 H    2.423700      -2.120000      -1.096000    
 H    3.557100     -0.8497000     -0.6522000    
 H   -3.294200      -2.237700     -0.4396000    
 H   -2.455800      -2.083700       1.122600    
 H   -3.575800     -0.8277000      0.6095000    


%chk=000031361-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031361

0 1
O 1.113155 0.169746 -0.482085
O -1.106716 0.175082 0.484198
C 0.004707 1.014736 -0.000075
C 0.387708 1.864990 1.220759
C -0.375328 1.862736 -1.223372
C 1.736433 -0.709094 0.530443
C -1.733436 -0.703670 -0.526209
C 2.595918 -1.721326 -0.227921
C -2.597179 -1.710516 0.234477
H 1.319647 2.420613 1.019647
H -0.418407 2.584833 1.440980
H 0.525207 1.229708 2.111382
H -1.305371 2.422145 -1.023978
H 0.433281 2.579168 -1.445571
H -0.514917 1.225346 -2.112168
H 2.361424 -0.103131 1.218598
H 0.945345 -1.210549 1.123117
H -2.355806 -0.096825 -1.215970
H -0.944340 -1.209794 -1.117578
H 3.117992 -2.391399 0.480036
H 1.972647 -2.337223 -0.899633
H 3.353332 -1.203468 -0.841916
H -3.121868 -2.380152 -0.471954
H -1.976566 -2.327361 0.907785
H -3.352564 -1.188093 0.847106


