%chk=000176935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176935

0 1
 O   -5.250700       1.452800     -0.1189000    
 O    5.387700     -0.2170000     -8.8000000E-03
 C   -1.056900     -0.7134000      9.2699997E-02
 C   -2.445900     -0.5832000      0.1047000    
 C  -0.3965000      -2.056400      0.2868000    
 C  -0.2485000      0.4486000     -4.4199999E-02
 C   -3.475400      -1.660700      0.2631000    
 C   0.9123000      -2.154900     -0.4967000    
 C   -3.020400      0.6705000     -5.0799999E-02
 C    1.230300      0.3059000     -1.9800000E-02
 C    1.805900     -0.9698000     -0.2255000    
 C   -4.821700     -0.9193000      0.2189000    
 C   -4.466500      0.5288000     -2.2000000E-03
 C  -0.8895000       1.701200     -0.2120000    
 C   -2.280600       1.821900     -0.2162000    
 C    3.199100      -1.136300     -0.2343000    
 C    2.103200       1.383300      0.2162000    
 C    4.037700     -4.9800001E-02 -7.7999998E-03
 C    3.490200       1.207200      0.2218000    
 C    6.186300      0.9407000      0.2330000    
 H  -0.2085000      -2.192800       1.359500    
 H   -1.053900      -2.869900     -3.8800001E-02
 H   -3.412100      -2.384700     -0.5560000    
 H   -3.354200      -2.184600       1.216800    
 H   0.7084000      -2.190800      -1.574600    
 H    1.417100      -3.089400     -0.2244000    
 H   -5.359900      -1.026900       1.165400    
 H   -5.442800      -1.281800     -0.6053000    
 H  -0.3112000       2.611300     -0.3514000    
 H   -2.750800       2.790600     -0.3424000    
 H    3.629300      -2.118500     -0.4157000    
 H    1.724700       2.383300      0.4116000    
 H    4.081400       2.096600      0.4126000    
 H    6.011300       1.348000       1.234600    
 H    6.050900       1.693800     -0.5508000    
 H    7.233900      0.6244000      0.1950000    


%chk=000176935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176935

0 1
O -5.399830 1.473092 -0.140477
O 5.428732 -0.236431 -0.008462
C -1.061980 -0.727152 0.116694
C -2.466008 -0.595353 0.116394
C -0.371269 -2.068732 0.311175
C -0.261335 0.449766 -0.052220
C -3.517444 -1.690141 0.287749
C 0.917634 -2.149422 -0.536746
C -3.075691 0.672723 -0.053505
C 1.217890 0.322483 -0.023268
C 1.820400 -0.958255 -0.254053
C -4.882149 -0.945592 0.216220
C -4.551712 0.546617 -0.016884
C -0.899403 1.716282 -0.235887
C -2.298031 1.839744 -0.235876
C 3.218506 -1.093025 -0.239293
C 2.071367 1.427001 0.228660
C 4.052199 0.027362 0.002357
C 3.474988 1.298805 0.243815
C 6.337459 0.886404 0.242187
H -0.108831 -2.198123 1.382452
H -1.053794 -2.897370 0.049217
H -3.427947 -2.456044 -0.506418
H -3.388676 -2.221845 1.249173
H 0.640371 -2.152280 -1.611697
H 1.454028 -3.095093 -0.340290
H -5.470304 -1.042336 1.146955
H -5.528155 -1.307165 -0.603917
H -0.285104 2.606626 -0.404771
H -2.791756 2.806175 -0.380991
H 3.691355 -2.064861 -0.415094
H 1.638867 2.409311 0.445858
H 4.096166 2.174749 0.451096
H 6.173843 1.318772 1.248306
H 6.221817 1.676070 -0.525270
H 7.347499 0.455938 0.182913


