%chk=000068049.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068049

0 1
 O   7.9899997E-02  0.4763000      -2.522900    
 C   0.5512000     -2.4900001E-02 -0.1309000    
 C  -8.3400004E-02  0.4893000       1.223200    
 C   0.7052000      -1.564900      7.7200003E-02
 C    1.872500      0.7451000     -0.4772000    
 C  -0.4168000      0.3008000      -1.386700    
 C   -1.864700      0.3719000      -1.273400    
 C   -1.285600     -2.6799999E-02   1.565300    
 C   0.9135000      -2.008400       1.347200    
 C    1.782500       2.090500     -0.6408000    
 C   0.6312000       1.400100       1.922000    
 C   0.6204000      -2.358600      -1.025300    
 C    3.009300      9.7000003E-03 -0.5874000    
 C   -1.845300      0.4265000       2.759800    
 C    1.050900      -3.384000       1.533300    
 C    2.957900       2.775600     -0.9486000    
 C   7.1400002E-02   1.853200       3.116600    
 C   0.7578000      -3.734200     -0.8391000    
 C    4.184600      0.6949000     -0.8952000    
 C   -2.481900       1.586200     -0.9725000    
 C   -2.636500     -0.7739000      -1.466000    
 C   -1.166900       1.366300       3.535400    
 C   0.9730000      -4.246800      0.4402000    
 C    4.158900       2.077800      -1.075700    
 C   -3.870900       1.654500     -0.8641000    
 C   -4.025600     -0.7053000      -1.357600    
 C   -4.642600      0.5089000      -1.056700    
 H   -1.804300     -0.8107000       1.032500    
 H    1.053800      -1.388700       2.224000    
 H   0.8545000       2.647500     -0.5681000    
 H    1.629600       1.756400       1.721600    
 H   0.4794000      -1.991400      -2.033700    
 H    3.081300      -1.061000     -0.4534000    
 H   -2.800700      3.3799998E-02   3.095300    
 H    1.234800      -3.782800       2.526700    
 H    2.937200       3.851700      -1.094200    
 H   0.6086000       2.568500       3.732900    
 H   0.7037000      -4.406000      -1.690900    
 H    5.120400      0.1524000     -0.9938000    
 H   -1.891100       2.486100     -0.8219000    
 H   -2.173800      -1.726200      -1.707500    
 H   -1.598500       1.712300       4.470000    
 H    1.085000      -5.317300      0.5844000    
 H    5.073900       2.611000      -1.316200    
 H   -4.351300       2.599900     -0.6296000    
 H   -4.626700      -1.597100      -1.508700    
 H   -5.724100      0.5622000     -0.9723000    


%chk=000068049-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068049

0 1
O -1.507834 -1.800473 -1.110993
C 0.171755 -0.502940 0.143870
C -0.384750 -0.074437 1.534541
C 0.918863 -1.869745 0.233856
C 1.214686 0.462088 -0.482257
C -1.138491 -0.652401 -0.733755
C -2.022867 0.534108 -1.044225
C -1.317109 -0.944662 2.163858
C 1.398033 -2.380215 1.464792
C 1.131128 0.891045 -1.830776
C -0.060992 1.140666 2.185896
C 1.244817 -2.571161 -0.956405
C 2.383108 0.800381 0.253218
C -1.900111 -0.614291 3.404034
C 2.168514 -3.565696 1.509545
C 2.159125 1.665034 -2.415104
C -0.639806 1.472268 3.432247
C 2.005856 -3.756429 -0.914604
C 3.407169 1.579221 -0.323543
C -1.739854 1.878144 -0.677201
C -3.223969 0.262002 -1.758487
C -1.562260 0.598369 4.048918
C 2.473682 -4.262678 0.321099
C 3.299096 2.022017 -1.662803
C -2.632854 2.915330 -1.016280
C -4.115660 1.297797 -2.096644
C -3.822933 2.632007 -1.725587
H -1.585485 -1.888124 1.674455
H 1.169614 -1.860002 2.400315
H 0.263035 0.624186 -2.442413
H 0.644875 1.839316 1.726184
H 0.900188 -2.192918 -1.923581
H 2.507950 0.422599 1.273840
H -2.617604 -1.302026 3.865325
H 2.528169 -3.939880 2.474989
H 2.067793 1.982720 -3.459845
H -0.369785 2.417221 3.917373
H 2.235989 -4.284923 -1.846629
H 4.297052 1.825745 0.266653
H -0.825162 2.124102 -0.135749
H -3.432957 -0.776374 -2.034868
H -2.013280 0.858727 5.012891
H 3.068129 -5.182757 0.354185
H 4.096961 2.621387 -2.115035
H -2.399677 3.945552 -0.726327
H -5.035651 1.069436 -2.645811
H -4.514798 3.441062 -1.985962


