%chk=000177752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177752

0 1
 O    2.469100       1.149600      0.1800000    
 O   -2.249200      0.7918000     -0.3062000    
 O   0.5144000       4.147100      5.4400001E-02
 O    2.979800       3.275900     -0.5541000    
 O   -2.007900       2.803100      0.8032000    
 C    5.333100      -1.279900     -0.1055000    
 C   -5.585400     -0.8576000      0.2082000    
 C    5.508800      -2.770700      0.1971000    
 C   -6.216200      -2.172600     -0.2587000    
 C    3.930500     -0.7584000      0.2031000    
 C   -4.160400     -0.6522000     -0.3029000    
 C    6.919600      -3.286900     -8.8500001E-02
 C   -7.651200      -2.366700      0.2326000    
 C    3.794500      0.7181000     -0.1443000    
 C   -3.564100      0.6507000      0.2133000    
 C   0.7581000       2.766600      0.2850000    
 C    7.022300      -4.784400      0.1586000    
 C   -8.206000      -3.716700     -0.1962000    
 C  -0.2108000       1.958200     -0.5705000    
 C    2.197700       2.462600     -7.9000004E-02
 C   -1.576700       1.922500      7.0400000E-02
 H    5.560800      -1.102500      -1.164000    
 H    6.066700     -0.7079000      0.4760000    
 H   -5.584100     -0.8334000       1.305100    
 H   -6.212600     -2.1700000E-02 -0.1258000    
 H    4.786100      -3.340900     -0.3999000    
 H    5.263600      -2.955300       1.250500    
 H   -5.596400      -3.007100      9.2799999E-02
 H   -6.202400      -2.208900      -1.355100    
 H    3.695900     -0.9082000       1.264200    
 H    3.180700      -1.333600     -0.3543000    
 H   -3.523100      -1.490800      4.1000000E-03
 H   -4.148400     -0.6515000      -1.399800    
 H    7.642300      -2.762200      0.5467000    
 H    7.188200      -3.075600      -1.130000    
 H   -7.681800      -2.296900       1.326000    
 H   -8.289700      -1.568100     -0.1622000    
 H    3.972600      0.8715000      -1.215000    
 H    4.517000       1.308600      0.4311000    
 H   -4.177500       1.498900     -0.1129000    
 H   -3.524300      0.6371000       1.308900    
 H   0.6308000       2.581800       1.357200    
 H    6.785200      -5.027200       1.199400    
 H    6.334600      -5.337500     -0.4890000    
 H    8.038800      -5.133400     -4.8700001E-02
 H   -8.214100      -3.808600      -1.287000    
 H   -7.606600      -4.535800      0.2138000    
 H   -9.233200      -3.835100      0.1624000    
 H   0.1361000      0.9234000     -0.6706000    
 H  -0.3231000       2.384000      -1.573800    
 H   0.6080000       4.318200     -0.8984000    


%chk=000177752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177752

0 1
O 2.694726 0.603513 -0.037488
O -2.598223 -0.076887 -0.066607
O -0.128545 2.892983 -0.542074
O 2.385496 2.420555 -1.468564
O -1.570551 0.799284 1.833865
C 6.139362 -1.063916 -0.272062
C -6.311147 -0.893754 0.410883
C 6.754707 -2.282990 0.451437
C -7.396180 -1.422995 -0.553962
C 4.688000 -0.776905 0.181825
C -4.936156 -0.717458 -0.276025
C 8.202362 -2.589083 0.004328
C -8.770380 -1.622582 0.125118
C 4.095740 0.425445 -0.549580
C -3.884928 -0.177506 0.692645
C 0.557537 1.739073 0.022111
C 8.808084 -3.809635 0.730293
C -9.850567 -2.143925 -0.847327
C -0.260621 0.448518 -0.226607
C 1.963238 1.636759 -0.580229
C -1.512650 0.435392 0.636733
H 6.159468 -1.240682 -1.367632
H 6.772495 -0.171390 -0.087190
H -6.211650 -1.592558 1.267559
H -6.642710 0.076387 0.836004
H 6.120135 -3.175656 0.271390
H 6.740126 -2.106786 1.547099
H -7.061180 -2.386828 -0.991022
H -7.507441 -0.717960 -1.403852
H 4.664955 -0.588126 1.272035
H 4.054878 -1.665455 -0.005495
H -4.592516 -1.688392 -0.682186
H -5.029215 -0.024126 -1.133722
H 8.836499 -1.697270 0.185440
H 8.216699 -2.763667 -1.090917
H -8.659231 -2.331170 0.971144
H -9.102062 -0.660686 0.566649
H 4.044621 0.274180 -1.643523
H 4.653084 1.359320 -0.351388
H -4.140131 0.827602 1.075666
H -3.727140 -0.847481 1.558571
H 0.648834 1.884559 1.116501
H 8.835311 -3.647442 1.824381
H 8.209356 -4.720722 0.541723
H 9.841666 -4.008936 0.392963
H -10.003364 -1.437613 -1.685111
H -9.556825 -3.118744 -1.280604
H -10.822503 -2.279620 -0.338374
H 0.352686 -0.427195 0.059978
H -0.532281 0.359137 -1.290378
H 0.458232 3.274832 -1.252726


