%chk=000086018.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086018

0 1
 O  -0.5428000       1.355900      0.9859000    
 O    1.814900      -1.721300      0.2088000    
 O   -1.802900      -1.761500     -0.1557000    
 O  -3.0400001E-02   3.421200      0.1460000    
 O    2.853000      0.2702000     -0.3324000    
 O   -2.812500      0.2754000      0.2550000    
 C   0.4806000     -7.9999998E-04 -0.6483000    
 C  -0.4415000      1.4000000E-03  0.5508000    
 C   0.4846000       1.433700      -1.129600    
 C  -3.4899998E-02   2.203400      4.6300001E-02
 C    1.858500     -0.4378000     -0.2491000    
 C   -1.826500     -0.4476000      0.2076000    
 C    3.069800      -2.268400      0.6259000    
 C   -3.070000      -2.323900     -0.5114000    
 H   0.1676000     -0.6692000      -1.459400    
 H  -8.9599997E-02 -0.5904000       1.402300    
 H  -0.2324000       1.562400      -1.947700    
 H    1.457900       1.820500      -1.439100    
 H    2.897400      -3.292800      0.9669000    
 H    3.479100      -1.685900       1.456800    
 H    3.771000      -2.290700     -0.2136000    
 H   -3.757100      -2.277300      0.3389000    
 H   -2.913400      -3.372200     -0.7792000    
 H   -3.487700      -1.799000      -1.375800    


%chk=000086018-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086018

0 1
O -0.706897 0.848792 1.061149
O 2.150494 -1.634908 0.149199
O -2.408050 -1.692061 0.373067
O -0.448686 3.143164 0.798208
O 3.104800 0.430577 -0.341491
O -2.094746 -0.403475 -1.545244
C 0.688260 0.043305 -0.759072
C -0.406966 -0.378894 0.267448
C 0.498379 1.566217 -0.905021
C -0.239743 2.007511 0.359993
C 2.103997 -0.316108 -0.295979
C -1.706860 -0.806301 -0.423888
C 3.484919 -2.128722 0.577618
C -3.734550 -2.122265 -0.143417
H 0.516896 -0.481566 -1.715596
H -0.079626 -1.149804 0.977356
H -0.126398 1.817457 -1.778651
H 1.456117 2.104635 -0.986202
H 3.311049 -3.166816 0.891630
H 3.864371 -1.515851 1.411687
H 4.194265 -2.078218 -0.264939
H -4.402169 -1.249197 -0.228946
H -4.106110 -2.836211 0.603479
H -3.620046 -2.595959 -1.132487


