%chk=000099514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099514

0 1
 O   -4.150000      0.6230000      -1.892200    
 O    3.092700       1.949300      -1.026700    
 O    4.161600      1.9500000E-02  -1.600600    
 C   -1.464700      0.7087000      0.4735000    
 C  -0.8231000     -0.7231000      0.4158000    
 C   0.6769000     -0.7735000     -0.1005000    
 C    1.503300      0.2746000      0.7331000    
 C   -2.766900      0.6033000       1.305200    
 C   -3.701000     -0.1666000      0.3683000    
 C  -0.5244000       1.725600       1.133200    
 C   -1.777300      -1.743300     -0.2544000    
 C   -2.031100       1.212900     -0.8807000    
 C   0.9041000       1.688700      0.5989000    
 C    3.052200      0.1972000      0.5493000    
 C   -3.229300      -1.622600      0.2390000    
 C    1.260000      -2.188700      0.1858000    
 C   -3.401700      0.5689000     -0.9256000    
 C   0.7746000     -0.5242000      -1.624500    
 C    3.537400      -1.250700      0.7809000    
 C    2.769700      -2.296100     -1.8800000E-02
 C   -5.158500     -6.1700001E-02  0.7860000    
 C    3.788200       1.100800       1.561000    
 C    3.507200      0.6778000     -0.8058000    
 H  -0.7638000      -1.048500       1.467800    
 H    1.345800     -3.7000000E-03   1.789000    
 H   -3.165600       1.603100       1.527900    
 H   -2.619000      8.9299999E-02   2.262300    
 H  -0.4868000       1.531600       2.214100    
 H  -0.9219000       2.743000       1.028600    
 H   -1.437300      -2.768000     -6.9100000E-02
 H   -1.780600      -1.613200      -1.341100    
 H   -1.458100      0.9059000      -1.752000    
 H   -2.169500       2.298900     -0.8871000    
 H   0.8764000       2.038300     -0.4355000    
 H    1.482300       2.420000       1.171400    
 H   -3.879100      -2.176300     -0.4502000    
 H   -3.311800      -2.117500       1.215400    
 H   0.7761000      -2.938200     -0.4517000    
 H    1.036400      -2.473300       1.222500    
 H    1.758800     -0.7584000      -2.031500    
 H   8.3200000E-02  -1.159500      -2.184700    
 H   0.5719000      0.5109000      -1.900600    
 H    3.432000      -1.497400       1.846500    
 H    4.607300      -1.347200      0.5544000    
 H    3.020400      -2.231900      -1.081900    
 H    3.097400      -3.293600      0.2993000    
 H   -5.315900     -0.4931000       1.780200    
 H   -5.491400      0.9820000      0.8125000    
 H   -5.809600     -0.5895000      8.0300003E-02
 H    3.604800       2.168900       1.408400    
 H    3.494300      0.8586000       2.588700    
 H    4.874400      0.9629000       1.489300    
 H    3.377200       2.280000      -1.905200    


%chk=000099514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099514

0 1
O -4.210250 0.589716 -1.941138
O 3.243408 1.926760 -1.218533
O 4.326776 -0.067262 -1.620791
C -1.478669 0.721447 0.522698
C -0.813760 -0.702330 0.433350
C 0.676463 -0.751626 -0.117437
C 1.512093 0.299201 0.713465
C -2.793469 0.577621 1.358822
C -3.758687 -0.155595 0.397182
C -0.521688 1.729817 1.194558
C -1.776168 -1.700393 -0.274302
C -2.061822 1.205470 -0.843873
C 0.903799 1.718976 0.607866
C 3.081227 0.207098 0.526490
C -3.234819 -1.625109 0.251003
C 1.237562 -2.181588 0.187744
C -3.453174 0.556044 -0.941158
C 0.776257 -0.493548 -1.646824
C 3.531075 -1.254658 0.821635
C 2.764551 -2.312417 0.004158
C -5.246969 -0.122969 0.769150
C 3.797531 1.150668 1.546492
C 3.598122 0.612508 -0.860791
H -0.725361 -1.037584 1.494009
H 1.383768 -0.007628 1.779424
H -3.186391 1.581678 1.620781
H -2.629327 0.019822 2.299767
H -0.460401 1.486318 2.277531
H -0.955748 2.748237 1.127064
H -1.408643 -2.735679 -0.152679
H -1.787293 -1.503298 -1.363644
H -1.466154 0.976122 -1.741241
H -2.202012 2.306734 -0.825710
H 0.896494 2.069632 -0.438753
H 1.524911 2.442879 1.164901
H -3.903576 -2.187447 -0.428519
H -3.305842 -2.097187 1.252226
H 0.731824 -2.925164 -0.457785
H 0.980864 -2.442803 1.237211
H 1.776369 -0.757883 -2.029629
H 0.053790 -1.116229 -2.203236
H 0.593284 0.560218 -1.915809
H 3.366482 -1.436142 1.903898
H 4.616429 -1.347825 0.633213
H 3.045512 -2.224400 -1.061144
H 3.083689 -3.323332 0.325199
H -5.444822 -0.738878 1.666084
H -5.584264 0.908606 0.980426
H -5.859555 -0.511034 -0.064489
H 3.644979 2.215479 1.309966
H 3.411655 0.952760 2.563683
H 4.885239 0.951888 1.550118
H 3.652915 2.128211 -2.104430


