%chk=000112028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112028

0 1
 O   0.6696000     -0.5720000     -0.5616000    
 O  -0.9738000       1.029400     -0.9224000    
 C   6.8999999E-03  0.5656000      3.3000000E-02
 C   0.9218000       1.754600      0.2937000    
 C    2.871900      0.3337000     -2.0700000E-02
 C  -0.5841000      7.3700003E-02   1.332500    
 C    2.022800     -0.7031000     -0.4272000    
 C    2.256500       1.632600      0.2574000    
 C   -2.803100      4.8200000E-02  0.3751000    
 C   -2.276700      0.6367000     -0.7842000    
 C    4.278200      0.1000000      8.0200002E-02
 C   -1.888600     -0.1562000       1.499100    
 C   -4.186100     -0.3068000      0.4252000    
 C   0.2829000       3.080700      0.6168000    
 C    4.778800      -1.187500     -0.2516000    
 C    2.534600      -1.955500     -0.7572000    
 C   -4.997700     -4.0500000E-02 -0.7101000    
 C   -3.092200      0.8972000      -1.882600    
 C    3.900600      -2.195200     -0.6678000    
 C   -4.439800      0.5587000      -1.845800    
 C    5.227300       1.068000      0.4960000    
 C   -4.820400     -0.9164000       1.537100    
 C    6.154600      -1.460200     -0.1673000    
 C   -6.362900     -0.3730000     -0.7030000    
 C    6.592700      0.7810000      0.5753000    
 C    7.056200     -0.4827000      0.2429000    
 C   -6.179300      -1.241600       1.528400    
 C   -6.950600     -0.9694000      0.4087000    
 H   8.9500003E-02 -0.1216000       2.163900    
 H    2.883700       2.495000      0.4436000    
 H   -2.249100     -0.5106000       2.455400    
 H  -0.2978000       3.447900     -0.2352000    
 H  -0.3836000       2.988200       1.480100    
 H    1.027000       3.846900      0.8602000    
 H    1.872300      -2.753500      -1.082900    
 H   -2.683000       1.364000      -2.774900    
 H    4.273000      -3.184300     -0.9277000    
 H   -5.052800      0.7705000      -2.719900    
 H    4.922400       2.073300      0.7742000    
 H   -4.265700      -1.156700       2.440200    
 H    6.539500      -2.446100     -0.4225000    
 H   -6.986300     -0.1688000      -1.571800    
 H    7.289500       1.548900      0.8988000    
 H    8.116300     -0.7096000      0.3034000    
 H   -6.630000      -1.708400       2.399400    
 H   -8.006800      -1.220700      0.3981000    


%chk=000112028-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112028

0 1
O 0.600916 -0.523539 1.090587
O -0.644983 1.049188 -0.235876
C -0.002832 0.839955 1.109076
C 1.040080 1.935989 1.213186
C 2.779269 0.365638 0.388064
C -1.037628 0.786129 2.200572
C 1.879127 -0.707803 0.539361
C 2.329338 1.681154 0.828056
C -2.802322 0.190319 0.582200
C -1.924666 0.526204 -0.470976
C 4.098748 0.092006 -0.144284
C -2.329217 0.424716 1.942078
C -4.122872 -0.308142 0.255857
C 0.554174 3.298976 1.643915
C 4.454615 -1.273321 -0.479925
C 2.224364 -2.050564 0.216877
C -4.509863 -0.420751 -1.136576
C -2.304621 0.422633 -1.840253
C 3.494943 -2.323664 -0.282885
C -3.577330 -0.040969 -2.161183
C 5.079463 1.115872 -0.360812
C -5.074090 -0.703477 1.253423
C 5.758171 -1.556106 -1.002701
C -5.814378 -0.908495 -1.471595
C 6.345044 0.810738 -0.871545
C 6.692914 -0.536747 -1.195805
C -6.341738 -1.175333 0.897825
C -6.720823 -1.279191 -0.475871
H -0.680855 0.963991 3.219226
H 3.051754 2.503180 0.865503
H -3.030359 0.330875 2.777276
H -0.223419 3.673003 0.950701
H 0.093832 3.275935 2.650589
H 1.383046 4.027254 1.661326
H 1.477846 -2.834997 0.370549
H -1.579429 0.709722 -2.607018
H 3.775606 -3.351937 -0.538221
H -3.880901 -0.127864 -3.210801
H 4.838464 2.159164 -0.133247
H -4.808003 -0.648904 2.313858
H 6.010046 -2.594164 -1.251218
H -6.089820 -0.987027 -2.530182
H 7.076527 1.611281 -1.028652
H 7.687081 -0.762699 -1.596032
H -7.050749 -1.472573 1.678552
H -7.716272 -1.651255 -0.740696


