%chk=000157261.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157261

0 1
 O  -0.5018000      0.3350000      7.2600000E-02
 O  -0.8678000      -1.653300      -1.153600    
 O    1.551600     -0.7746000      2.2800000E-02
 O   -4.637400       2.896200     -0.5212000    
 O    5.020000      0.4216000     -0.2711000    
 O    3.574600       2.793700      0.6034000    
 O   0.8718000       2.804600     -0.3944000    
 O    2.687600      -3.115400     -0.7785000    
 C   -2.780900     -0.3664000     -0.3580000    
 C   -3.485100      0.9096000      9.4499998E-02
 C   -2.840900      -1.207600      0.9198000    
 C   -4.671500      0.3633000      0.9238000    
 C   -4.315500      -1.093800       1.283600    
 C   -1.343100     -0.3184000     -0.8650000    
 C   -3.922700       1.802500      -1.054600    
 C   -2.242600      -2.541500      0.6379000    
 C   0.8462000      0.3931000     -0.3924000    
 C    3.689000      0.3833000      0.2538000    
 C    2.985600       1.707600     -0.1125000    
 C    1.486500       1.654600      0.1882000    
 C    2.914600     -0.7773000     -0.4131000    
 C   -1.330500      -2.662300     -0.3390000    
 C    3.823900      0.2067000       1.773700    
 C    3.488700      -2.161300     -0.1207000    
 H   -3.389300     -0.8516000      -1.139700    
 H   -2.841100       1.488900      0.7704000    
 H   -2.256200     -0.7455000       1.728600    
 H   -5.615900      0.3862000      0.3681000    
 H   -4.808200      0.9648000       1.829600    
 H   -4.498600      -1.306400       2.341700    
 H   -4.926800      -1.787100      0.6932000    
 H   -1.326000      0.2430000      -1.807200    
 H   -4.571700       1.265100      -1.754000    
 H   -3.054500       2.181100      -1.603300    
 H   -2.520000      -3.398200       1.241700    
 H   0.8583000      0.4565000      -1.489900    
 H    3.141700       1.933800      -1.175500    
 H    1.308300       1.720800       1.267600    
 H    2.921300     -0.6540000      -1.505700    
 H  -0.8574000      -3.600000     -0.5947000    
 H    4.432600     -0.6706000       2.018200    
 H    4.351500       1.052900       2.227700    
 H    2.852800      0.1031000       2.266700    
 H    3.460800      -2.402300      0.9457000    
 H    4.517500      -2.255400     -0.4794000    
 H   -4.906200       3.456900      -1.268700    
 H    4.959800      0.5097000      -1.237600    
 H    4.523700       2.799900      0.3910000    
 H   0.9966000       2.758400      -1.357700    
 H    1.779100      -3.021400     -0.4448000    


%chk=000157261-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157261

0 1
O -0.478651 -0.251570 -0.069430
O -1.242711 -1.661621 -1.883945
O 1.683177 -0.939301 0.356982
O -3.936929 3.148383 0.572443
O 5.083883 0.698599 -0.063046
O 3.169554 2.933375 -0.376173
O 0.570844 2.189377 -1.302499
O 3.264076 -3.288193 0.438549
C -2.842438 -0.354880 -0.523284
C -3.265832 0.839770 0.361247
C -3.037030 -1.565051 0.424305
C -4.516051 0.274400 1.124654
C -4.449703 -1.291727 1.000121
C -1.454305 -0.386985 -1.149619
C -3.534168 2.127969 -0.414759
C -2.749266 -2.843115 -0.326361
C 0.878677 -0.065826 -0.507179
C 3.655713 0.572130 0.340377
C 2.828789 1.523828 -0.568172
C 1.318989 1.399321 -0.318717
C 3.135496 -0.866699 0.057902
C -1.894152 -2.818665 -1.382797
C 3.615356 0.957574 1.822457
C 3.756360 -1.988119 0.896009
H -3.562809 -0.465450 -1.362838
H -2.452169 1.044718 1.081876
H -2.300715 -1.456801 1.249801
H -5.446425 0.667718 0.675138
H -4.509329 0.606972 2.175846
H -4.614867 -1.798684 1.967447
H -5.220243 -1.660582 0.296557
H -1.269826 0.383566 -1.917394
H -4.347718 1.963090 -1.157442
H -2.614796 2.448237 -0.951756
H -3.187300 -3.798373 -0.018979
H 1.000269 -0.367409 -1.571382
H 3.030298 1.234114 -1.628409
H 1.077728 1.725803 0.711714
H 3.288834 -1.105994 -1.023080
H -1.615831 -3.686646 -1.986445
H 4.456215 0.483098 2.354219
H 3.700874 2.051147 1.934916
H 2.668315 0.627572 2.282161
H 3.520955 -1.828212 1.967033
H 4.849673 -2.010276 0.762701
H -4.050943 4.019198 0.115738
H 5.195461 0.333072 -0.980854
H 4.157048 3.016547 -0.431352
H 0.948121 3.106878 -1.287815
H 2.271901 -3.247777 0.465533


