%chk=000158950.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158950

0 1
 O   -4.559500      0.8400000      0.2188000    
 O   -2.092400      -1.538800     -0.3967000    
 O    2.739200      0.5066000       1.291900    
 C   -4.650000     -0.2029000     -0.7480000    
 C   -4.466200      -1.562500     -7.1400002E-02
 C   -3.100500      -1.701400      0.5921000    
 C   -5.998000     -0.1048000      -1.448800    
 C   -4.670200       2.119200     -0.3872000    
 C  -0.8909000      -1.030500      2.3499999E-02
 C   -4.567400       3.183200      0.6845000    
 C  -0.1185000     -0.2776000     -0.8536000    
 C  -0.4571000      -1.273100       1.321700    
 C    1.546700      6.0000003E-04  0.8744000    
 C    1.104500      0.2396000     -0.4266000    
 C   0.7659000     -0.7557000       1.748700    
 C    3.824400      0.3828000      0.4408000    
 C    4.052600     -0.8278000     -0.1883000    
 C    4.652400       1.472700      0.2422000    
 C    5.146200     -0.9526000      -1.045000    
 C    5.745900       1.347900     -0.6147000    
 C    5.992800      0.1351000      -1.258300    
 H   -3.857500     -6.8700001E-02  -1.495300    
 H   -5.239500      -1.708000      0.6924000    
 H   -4.579700      -2.353900     -0.8223000    
 H   -3.026700     -0.9494000       1.388100    
 H   -3.012100      -2.700400       1.034300    
 H   -6.018900      0.7017000      -2.188900    
 H   -6.811200      7.0000000E-02 -0.7358000    
 H   -6.217500      -1.025100      -2.001200    
 H   -3.871000       2.256800      -1.123900    
 H   -5.639800       2.260000     -0.8720000    
 H   -4.646000       4.184600      0.2519000    
 H   -5.358600       3.057600       1.431100    
 H   -3.613200       3.102900       1.216000    
 H  -0.4626000     -8.4500000E-02  -1.865700    
 H   -1.020200      -1.880400       2.023500    
 H    1.680000      0.8451000      -1.121700    
 H    1.108800     -0.9503000       2.761200    
 H    3.422500      -1.696200     -2.0300001E-02
 H    4.461200       2.417300      0.7423000    
 H    5.341900      -1.898300      -1.542000    
 H    6.405300       2.194800     -0.7806000    
 H    6.845000      3.7599999E-02  -1.924400    


%chk=000158950-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158950

0 1
O -5.341695 0.691344 0.341402
O -2.099919 -0.789718 -0.526361
O 3.133926 0.826184 0.814409
C -5.041072 -0.204362 -0.798562
C -4.395870 -1.451902 -0.167882
C -3.072214 -1.144797 0.531183
C -6.307445 -0.548400 -1.604065
C -5.595815 2.089181 -0.036486
C -0.807453 -0.420933 -0.126620
C -5.653283 2.907523 1.254298
C 0.086004 -0.089265 -1.178262
C -0.367229 -0.361396 1.219690
C 1.844557 0.342563 0.454154
C 1.407381 0.297156 -0.892395
C 0.963913 0.019869 1.503398
C 4.295039 0.320294 0.180524
C 4.351528 -0.939029 -0.462836
C 5.447143 1.132924 0.288120
C 5.580874 -1.375495 -1.006875
C 6.666827 0.680994 -0.258190
C 6.741074 -0.572984 -0.911304
H -4.295670 0.294867 -1.456735
H -5.099720 -1.868849 0.578519
H -4.231128 -2.219232 -0.946991
H -3.201000 -0.291422 1.224882
H -2.697466 -2.027904 1.087669
H -6.768147 0.353466 -2.045402
H -7.056051 -1.036148 -0.953608
H -6.061494 -1.237676 -2.433201
H -4.779116 2.450764 -0.700683
H -6.553872 2.171664 -0.593477
H -5.860173 3.970060 1.030405
H -6.450711 2.527088 1.916064
H -4.693938 2.842724 1.796186
H -0.278051 -0.132120 -2.209260
H -1.039868 -0.605614 2.046117
H 2.090860 0.569276 -1.702896
H 1.324327 0.075772 2.534877
H 3.460003 -1.570059 -0.527976
H 5.367702 2.097979 0.797644
H 5.628637 -2.351983 -1.502054
H 7.559666 1.310674 -0.174974
H 7.689039 -0.919874 -1.335747


