%chk=000177365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177365

0 1
 O   -3.632100       2.144200      0.3229000    
 O   0.4543000      -2.402200     -0.9206000    
 O   -1.695100       1.829600       1.580700    
 O    2.768800     -0.5072000       2.051200    
 O    2.344500      -2.850200      0.2160000    
 C  -0.7775000     -0.3697000     -0.1692000    
 C   0.5876000      0.4205000     -0.1416000    
 C   -2.037900      0.5216000     -0.5061000    
 C    1.834400     -0.5365000     -0.2135000    
 C   -3.425400     -0.1405000     -0.2951000    
 C   -1.003300      -1.070300       1.213400    
 C   0.7344000       1.527900      -1.224000    
 C  -0.5678000      -1.444900      -1.265100    
 C    2.776700     -0.2185000      -1.407100    
 C   -3.515700     -0.8448000       1.074600    
 C    3.280500       1.182700      -1.071900    
 C   -2.226700       1.858500      0.2686000    
 C   -2.346900      -1.786600       1.331100    
 C    2.130800       2.182800      -1.254600    
 C   -4.342200       1.085700     -0.3120000    
 C    2.761200     -8.7099999E-02  0.9063000    
 C    1.569700      -2.022500     -0.2556000    
 C    3.637700       1.002700      0.3822000    
 C   -3.890700      -1.087300      -1.411400    
 C    4.580600       1.612100       1.100800    
 H   0.6127000      0.9583000      0.8169000    
 H   -1.977800      0.7956000      -1.570300    
 H  -0.9289000     -0.3402000       2.026000    
 H  -0.2205000      -1.799600       1.439900    
 H   1.7100001E-02   2.333300      -1.077200    
 H   0.5139000       1.114900      -2.215500    
 H   -1.460000      -2.044100      -1.423500    
 H  -0.3150000      -1.009200      -2.237700    
 H    2.274000     -0.2779000      -2.379000    
 H    3.617300     -0.9272000      -1.451500    
 H   -4.456000      -1.405900       1.148500    
 H   -3.548800     -0.1073000       1.886700    
 H    4.152300       1.463500      -1.671200    
 H   -1.766000       2.691500     -0.2657000    
 H   -2.383100      -2.640500      0.6466000    
 H   -2.441100      -2.203300       2.341300    
 H    2.243200       2.683400      -2.224700    
 H    2.183600       2.974700     -0.4967000    
 H   -4.567300       1.412500      -1.334400    
 H   -5.292100      0.9229000      0.2074000    
 H   -3.480000      -2.094300      -1.318300    
 H   -4.981200      -1.204500      -1.386800    
 H   -3.626500     -0.6993000      -2.401100    
 H   -1.481000       2.745200       1.827100    
 H    5.205400       2.378800      0.6553000    
 H    4.751300       1.365800       2.143000    


%chk=000177365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177365

0 1
O -3.459888 2.340853 0.047292
O 0.371924 -2.495359 -1.016338
O -1.680283 1.797320 1.578422
O 2.589370 -0.652719 2.100666
O 2.405039 -2.960252 -0.099003
C -0.751085 -0.386795 -0.238743
C 0.601200 0.414614 -0.299719
C -2.000486 0.519007 -0.535938
C 1.854425 -0.593361 -0.311188
C -3.421603 -0.108840 -0.220878
C -0.897015 -1.056452 1.167029
C 0.775785 1.433873 -1.456684
C -0.649396 -1.466861 -1.346184
C 2.888489 -0.228233 -1.436787
C -3.427062 -0.814337 1.168461
C 3.312368 1.197370 -0.996129
C -2.077099 1.900528 0.170874
C -2.243037 -1.789515 1.347860
C 2.137404 2.178151 -1.345822
C -4.328860 1.156548 -0.195671
C 2.670972 -0.173109 0.947570
C 1.573565 -2.088592 -0.417822
C 3.510079 1.004960 0.507272
C -3.966066 -1.067598 -1.312305
C 4.298234 1.704784 1.360416
H 0.640890 0.995993 0.643408
H -1.997256 0.767504 -1.620118
H -0.822540 -0.258906 1.924938
H -0.064978 -1.755608 1.357781
H -0.033017 2.182656 -1.448147
H 0.707920 0.925937 -2.437615
H -1.567347 -2.053935 -1.470863
H -0.386924 -1.012149 -2.322348
H 2.467649 -0.262394 -2.455168
H 3.731631 -0.939400 -1.385977
H -4.390035 -1.349712 1.290548
H -3.367592 -0.046698 1.961726
H 4.244483 1.539084 -1.477857
H -1.482365 2.697451 -0.310888
H -2.323381 -2.645042 0.648179
H -2.278954 -2.225573 2.364044
H 2.354294 2.677415 -2.309139
H 2.074786 2.970412 -0.576046
H -4.830562 1.325642 -1.166984
H -5.088986 1.107438 0.605165
H -3.551786 -2.086352 -1.227109
H -5.063377 -1.166536 -1.208528
H -3.759075 -0.690496 -2.331630
H -1.911734 2.655103 2.019628
H 4.916974 2.547746 1.032155
H 4.339709 1.421535 2.419294


