%chk=000086577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086577

0 1
 O    2.359400      0.4009000     -0.3002000    
 O   -2.822300       2.095800      0.6758000    
 O    1.309900     -0.5573000       1.521100    
 O   -2.421800       1.184700      -1.374900    
 C   3.0999999E-02  0.1674000     -0.3896000    
 C   -1.151400      0.4458000      0.5481000    
 C  -0.1903000      -1.013600      -1.338800    
 C   -1.787600     -0.8109000       1.149900    
 C  -0.7472000      -2.249400     -0.6392000    
 C   -2.018200      -1.924700      0.1329000    
 C    1.285200     -5.0299998E-02  0.4078000    
 C   -2.184400       1.258900     -0.1784000    
 C    3.627600      0.2545000      0.3468000    
 C    4.710000      0.7983000     -0.5613000    
 H   0.2076000       1.067500     -0.9966000    
 H  -0.7932000       1.077400       1.374200    
 H   0.7481000      -1.283300      -1.839200    
 H  -0.8843000     -0.7188000      -2.135000    
 H   -2.744000     -0.5638000       1.627300    
 H   -1.141900      -1.197300       1.947600    
 H   4.6000001E-03  -2.663400      4.3299999E-02
 H  -0.9589000      -3.025700      -1.383300    
 H   -2.808300      -1.628400     -0.5674000    
 H   -2.374800      -2.823400      0.6491000    
 H   -3.501400       2.637000      0.2195000    
 H    3.622300      0.8105000       1.290900    
 H    3.813100     -0.8062000      0.5502000    
 H    5.695300      0.7017000     -9.6799999E-02
 H    4.715600      0.2639000      -1.517000    
 H    4.528000       1.853900     -0.7886000    


%chk=000086577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086577

0 1
O 2.352695 0.243444 -0.282188
O -3.641503 1.144917 0.640340
O 1.302233 0.544432 1.767837
O -2.440077 1.795538 -1.226022
C -0.044906 0.531987 -0.323265
C -1.287824 0.566938 0.606348
C -0.155151 -0.583578 -1.404130
C -1.631086 -0.840035 1.182693
C -0.472476 -1.966280 -0.790229
C -1.753137 -1.911607 0.075422
C 1.227416 0.431078 0.519386
C -2.461260 1.215015 -0.115418
C 3.669348 0.197689 0.428326
C 4.738541 0.007330 -0.642395
H 0.022346 1.499714 -0.862112
H -1.064930 1.223209 1.473316
H 0.782772 -0.618269 -1.984169
H -0.964864 -0.292604 -2.099881
H -2.562649 -0.774289 1.770261
H -0.817945 -1.117083 1.879691
H 0.379918 -2.303765 -0.164630
H -0.587054 -2.712269 -1.599809
H -2.625998 -1.685606 -0.571727
H -1.947979 -2.898244 0.537571
H -4.366058 1.618084 0.147890
H 3.792345 1.141395 0.989949
H 3.641631 -0.633318 1.156088
H 5.737535 -0.030565 -0.170943
H 4.579782 -0.933681 -1.196314
H 4.726033 0.842123 -1.363684


