%chk=000101228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101228

0 1
 O    2.117200     -0.5748000      0.9384000    
 O   0.8765000      -1.274100      -1.008400    
 O  -0.1598000      0.2525000       2.162900    
 C  -0.1965000      6.4099997E-02  0.7287000    
 C   0.8670000      -1.090100      0.4175000    
 C   -1.621100     -0.3801000      0.3291000    
 C   9.7000003E-02   1.471200      0.1618000    
 C   0.5124000      -2.371600       1.212600    
 C   -1.916200     -0.4746000      -1.004400    
 C  -0.7114000       2.504500      0.5528000    
 C   -2.514200     -0.6558000       1.329300    
 C    1.149800       1.610800     -0.7019000    
 C    3.246400      -1.426000      0.8563000    
 C    1.771200      -2.222500      -1.563100    
 C   -3.202700     -0.8754000      -1.365300    
 C  -0.4467000       3.774700      4.0800001E-02
 C   -3.800700      -1.056700      0.9685000    
 C    1.414500       2.881000      -1.213900    
 C   -4.144900      -1.166400     -0.3788000    
 C   0.6162000       3.963000     -0.8425000    
 C    4.444600     -0.7139000       1.447100    
 C    1.601400      -2.239800      -3.067200    
 H    1.209100      -3.190100       1.010700    
 H  -0.4685000      -2.761600      0.9243000    
 H   0.5326000      -2.200500       2.293600    
 H   0.7632000      0.4293000       2.414900    
 H   -1.209600     -0.2321000      -1.789900    
 H   -1.539400       2.374700       1.241800    
 H   -2.283800     -0.5900000       2.386300    
 H    1.810800      0.8236000      -1.030300    
 H    3.092000      -2.350500       1.417500    
 H    3.611700      -1.648000     -0.1251000    
 H    2.790700      -1.883800      -1.529300    
 H    1.641500      -3.221300      -1.143000    
 H   -3.472500     -0.9558000      -2.414200    
 H   -1.067600       4.617400      0.3305000    
 H   -4.534300      -1.285000       1.736200    
 H    2.242600       3.029000      -1.901100    
 H   -5.146700      -1.477600     -0.6597000    
 H   0.8226000       4.952100      -1.240900    
 H    5.337200      -1.345900       1.414900    
 H    4.650100      0.2152000      0.9044000    
 H    4.250700     -0.4357000       2.488400    
 H    2.306500      -2.931200      -3.538200    
 H   0.5833000      -2.545800      -3.330900    
 H    1.748300      -1.239800      -3.490500    


%chk=000101228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101228

0 1
O 2.233851 -0.665593 0.753025
O 0.920752 -1.152504 -1.210406
O 0.090709 0.215381 2.119001
C -0.090027 0.044205 0.656674
C 0.908857 -1.123649 0.245373
C -1.548361 -0.397969 0.448220
C 0.177263 1.410978 -0.020250
C 0.476922 -2.472513 0.846827
C -2.066261 -0.529775 -0.865357
C -0.789347 2.431256 0.192867
C -2.387534 -0.676796 1.552873
C 1.347458 1.736104 -0.751534
C 3.161649 -1.625576 1.386954
C 1.858176 -2.092542 -1.854895
C -3.400241 -0.944086 -1.067735
C -0.601776 3.732528 -0.315898
C -3.725619 -1.087220 1.348816
C 1.534699 3.040330 -1.264973
C -4.236901 -1.225983 0.038720
C 0.564165 4.044286 -1.053720
C 4.403676 -0.825613 1.782550
C 1.671081 -1.937792 -3.364323
H 1.243264 -3.254749 0.718674
H -0.446571 -2.804890 0.347805
H 0.266167 -2.352936 1.922704
H 1.047200 0.464085 2.230117
H -1.418950 -0.307468 -1.719045
H -1.692610 2.198247 0.767124
H -1.984785 -0.556039 2.561885
H 2.108640 0.972911 -0.916842
H 2.689500 -2.085890 2.277520
H 3.429518 -2.434607 0.677093
H 2.894342 -1.834982 -1.555637
H 1.640930 -3.133595 -1.537888
H -3.789517 -1.041317 -2.087859
H -1.363039 4.500904 -0.138758
H -4.367223 -1.295157 2.213048
H 2.444427 3.270690 -1.832029
H -5.274165 -1.543007 -0.119912
H 0.712543 5.053302 -1.455546
H 5.145898 -1.486897 2.266355
H 4.869466 -0.363676 0.895097
H 4.141269 -0.020211 2.490444
H 2.364311 -2.605615 -3.908064
H 0.637445 -2.192874 -3.655211
H 1.869251 -0.897089 -3.673184


