%chk=000158854.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158854

0 1
 O   -2.625500     -0.7480000       1.861200    
 O   -4.736700       1.068600       1.165600    
 O   -1.664000      -2.688600     -0.6323000    
 O   -6.291000      0.6049000     -0.9154000    
 C    2.196200     -0.4468000      0.4555000    
 C    2.985100      0.6497000     -0.3491000    
 C   0.6468000     -0.2094000      0.1801000    
 C    4.516500      0.3963000     -0.6117000    
 C    2.569100      -1.857400     -8.0700003E-02
 C   -1.730900     -0.7837000      0.7479000    
 C  -0.2888000     -0.8873000       1.191000    
 C    2.658900       2.073100      0.1696000    
 C    4.729600      -1.062400      -1.084900    
 C   -2.434100      0.4727000       1.131300    
 C    4.071000      -2.098700     -0.1835000    
 C   0.2738000       1.259400      1.5500000E-02
 C    2.501000     -0.4189000       1.974000    
 C    1.203400       2.273700      0.6124000    
 C    5.444900      0.6874000      0.5847000    
 C    4.996600       1.322900      -1.759900    
 C   -3.601300      0.9230000      0.3120000    
 C   -2.188000      -1.613000     -0.3677000    
 C   -3.976400      3.5399999E-02 -0.8551000    
 C  -0.8027000       1.637000     -0.6938000    
 C   -3.331000      -1.102600      -1.161300    
 C   -5.122500      0.5129000      -1.705600    
 H    2.542300      0.6089000      -1.359400    
 H   0.4442000     -0.6629000     -0.8026000    
 H    2.141100      -1.998700      -1.082100    
 H    2.125100      -2.637100      0.5502000    
 H  -2.9300001E-02  -1.945800       1.307600    
 H  -0.1743000     -0.4274000       2.181600    
 H    2.878400       2.798000     -0.6240000    
 H    3.299800       2.344300       1.014400    
 H    5.801500      -1.284900      -1.163100    
 H    4.321600      -1.181000      -2.098200    
 H   -1.977500       1.267300       1.705300    
 H    4.534700      -2.102800      0.8078000    
 H    4.242200      -3.096600     -0.6049000    
 H    1.974100      -1.222900       2.500200    
 H    3.554000     -0.5798000       2.195800    
 H    2.214100      0.5192000       2.451700    
 H   0.8984000       3.298000      0.3632000    
 H    1.130100       2.213700       1.704300    
 H    5.286500      1.7999999E-02   1.428400    
 H    6.495300      0.5591000      0.2934000    
 H    5.348200       1.716400      0.9422000    
 H    4.972000       2.377500      -1.466300    
 H    6.028500       1.090600      -2.049100    
 H    4.373500       1.207700      -2.653800    
 H   -3.392700       1.923400     -8.3600000E-02
 H   -1.370100      0.9323000      -1.284000    
 H   -1.046400       2.687100     -0.8215000    
 H   -3.630400      -1.708300      -2.010800    
 H   -4.511200       1.728300       1.843700    
 H   -5.327500     -0.1535000      -2.550100    
 H   -4.900700       1.504200      -2.113900    
 H   -6.497300     -0.2862000     -0.5845000    


%chk=000158854-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158854

0 1
O -2.752666 -0.872853 1.831023
O -4.983806 1.248740 0.962428
O -1.342382 -2.466968 -0.955643
O -6.079171 1.250679 -1.494511
C 2.230834 -0.423662 0.408513
C 3.070798 0.715895 -0.288431
C 0.698762 -0.103759 0.078038
C 4.609106 0.441435 -0.540059
C 2.564543 -1.803710 -0.241951
C -1.728192 -0.727348 0.688879
C -0.276298 -0.745521 1.118366
C 2.801219 2.094649 0.384441
C 4.777900 -0.987603 -1.144338
C -2.637675 0.408682 1.057252
C 4.077322 -2.092857 -0.327015
C 0.436925 1.394949 -0.116267
C 2.500717 -0.512966 1.937812
C 1.290069 2.309861 0.738432
C 5.522000 0.582132 0.711808
C 5.124507 1.462956 -1.596603
C -3.804850 0.797798 0.173151
C -2.133413 -1.580406 -0.508956
C -4.279772 -0.305802 -0.758265
C -0.434800 1.865515 -1.048275
C -3.467947 -1.353809 -1.093366
C -5.685988 -0.145862 -1.314439
H 2.640803 0.778344 -1.314786
H 0.486582 -0.599085 -0.888844
H 2.159082 -1.819501 -1.274534
H 2.042716 -2.610968 0.309096
H 0.014704 -1.802335 1.261726
H -0.202968 -0.239104 2.098157
H 3.121257 2.895907 -0.306082
H 3.407954 2.201331 1.302193
H 5.860048 -1.205686 -1.248126
H 4.353273 -0.990847 -2.170788
H -2.194021 1.233355 1.634097
H 4.524371 -2.173926 0.683171
H 4.236924 -3.074811 -0.813434
H 1.884521 -1.302435 2.403186
H 3.551489 -0.773803 2.138709
H 2.292123 0.431782 2.468557
H 1.008101 3.368122 0.590993
H 1.126177 2.080925 1.810534
H 5.329289 -0.186576 1.478118
H 6.580086 0.479457 0.403257
H 5.417512 1.571847 1.191658
H 5.165451 2.491017 -1.192825
H 6.148073 1.193556 -1.920492
H 4.477370 1.471963 -2.494391
H -3.470011 1.653402 -0.453050
H -0.978481 1.193307 -1.725002
H -0.597211 2.941135 -1.190521
H -3.785969 -2.093941 -1.837752
H -4.698503 1.569219 1.853385
H -6.389867 -0.667160 -0.628131
H -5.764961 -0.618738 -2.307335
H -6.095453 1.660381 -0.585065


