%chk=000031454.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031454

0 1
 O   -1.846600     -1.0600000E-02  -1.025100    
 O   -1.704300       1.050100       1.096300    
 O    2.032700       1.354000     -0.6982000    
 C   0.2815000     -3.7999999E-02  0.1763000    
 C    1.793400      0.1342000     -1.1000000E-02
 C  -0.4278000     -7.4000000E-03  -1.190500    
 C  -0.2782000       1.107700       1.040500    
 C   7.0000002E-03  -1.386900      0.8689000    
 C   -2.268400       1.090200     -0.2167000    
 C    2.519400      0.1473000       1.320600    
 C   0.5127000      -2.518700      3.9000001E-02
 C   -3.778800       1.010000     -7.5199999E-02
 C    3.421800       1.573900     -0.9044000    
 C  -0.2643000      -3.505900     -0.4206000    
 H    2.198800     -0.6636000     -0.6419000    
 H  -0.1663000      0.8947000      -1.758000    
 H  -0.1590000     -0.8515000      -1.832700    
 H   7.4400000E-02   1.043900       2.074900    
 H   9.6000005E-03   2.094500      0.6582000    
 H   -1.073400      -1.506100       1.029100    
 H   0.4352000      -1.446900       1.873500    
 H   -2.005100       2.036500     -0.7070000    
 H    2.299000     -0.7071000       1.961900    
 H    3.604700      0.1009000       1.171400    
 H    2.337900       1.069700       1.882600    
 H    1.581000      -2.612100     -0.1315000    
 H   -4.070600      7.2800003E-02  0.4126000    
 H   -4.159400       1.831500      0.5398000    
 H   -4.266400       1.034800      -1.054800    
 H    3.897800       1.958600      2.0999999E-03
 H    3.523100       2.346900      -1.672300    
 H    3.930800      0.6744000      -1.265400    
 H   0.1667000      -4.328900     -0.9803000    
 H   -1.335500      -3.511900     -0.2526000    


%chk=000031454-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031454

0 1
O -1.841146 0.017137 -1.053374
O -1.792695 1.051921 1.123597
O 2.026685 1.483481 -0.490121
C 0.288664 -0.043845 0.267507
C 1.828536 0.140331 0.108752
C -0.365529 0.035165 -1.143319
C -0.315041 1.112536 1.116677
C -0.066923 -1.416724 0.934708
C -2.314183 1.140910 -0.242577
C 2.638760 0.009371 1.414092
C 0.546000 -2.634366 0.272344
C -3.828539 1.077845 -0.177184
C 3.322273 1.659426 -1.141572
C -0.145598 -3.549350 -0.454087
H 2.189730 -0.618439 -0.624274
H -0.029458 0.958938 -1.655918
H -0.103896 -0.847170 -1.750755
H -0.027734 1.037275 2.178441
H 0.020949 2.087981 0.710000
H -1.167155 -1.502712 0.925854
H 0.242938 -1.379473 1.998902
H -1.931931 2.086965 -0.700187
H 2.512864 -0.987479 1.871674
H 3.717683 0.144670 1.218642
H 2.330557 0.773036 2.148964
H 1.629034 -2.785920 0.410528
H -4.138972 0.127057 0.286910
H -4.215923 1.914026 0.428135
H -4.253457 1.135588 -1.192980
H 4.161932 1.661158 -0.416825
H 3.280544 2.640705 -1.641066
H 3.504287 0.868358 -1.900419
H 0.345641 -4.420633 -0.903119
H -1.225494 -3.446772 -0.618452


