%chk=000155587.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155587

0 1
 O  -0.3155000      0.4881000     -0.5953000    
 O    4.213900       1.967400      0.3510000    
 O    2.154100       3.543500      0.5868000    
 O    3.389000      -2.421700      -1.232000    
 O   -2.266500      -1.970700      -1.249200    
 C  -0.7895000       1.513600      0.2915000    
 C  -7.0699997E-02   2.836400      3.3399999E-02
 C    1.041000      0.3035000     -0.5211000    
 C    1.932400       1.297200     -0.1059000    
 C    1.527100     -0.9440000     -0.9146000    
 C    1.409900       2.638000      0.2293000    
 C   -2.284600       1.658300      0.1004000    
 C   0.5873000      -2.009900      -1.382200    
 C    3.303900       1.036700     -5.0700001E-02
 C    2.896500      -1.205800     -0.8616000    
 C    3.782000     -0.2193000     -0.4260000    
 C  -0.1949000      -2.666600     -0.2650000    
 C   -3.093200       2.018400       1.178200    
 C   -2.852300       1.432000      -1.153200    
 C   -1.578300      -2.609800     -0.2621000    
 C   0.5041000      -3.316200      0.7388000    
 C   -4.470400       2.152000       1.002300    
 C   -4.229500       1.565700      -1.329000    
 C   -5.038600       1.925700     -0.2511000    
 C   -2.283700      -3.220400      0.7749000    
 C  -0.2014000      -3.926700       1.775700    
 C    4.523200       2.013000       1.742600    
 C   -1.595200      -3.878700       1.793900    
 H  -0.6058000       1.166300       1.319300    
 H  -0.4195000       3.605800      0.7311000    
 H  -0.2259000       3.191000     -0.9924000    
 H    1.113400      -2.803500      -1.929000    
 H  -7.4100003E-02  -1.576600      -2.143500    
 H    4.849900     -0.4219000     -0.3850000    
 H   -2.662000       2.199200       2.159200    
 H   -2.243200       1.162800      -2.011700    
 H    1.587900      -3.374600      0.7378000    
 H   -5.100300       2.432900       1.841300    
 H   -4.671900       1.392000      -2.305600    
 H    4.355700      -2.419000      -1.126600    
 H   -6.110900       2.030500     -0.3883000    
 H   -3.369700      -3.190400      0.8019000    
 H   0.3344000      -4.441500       2.567900    
 H    5.122500       1.140300       2.020500    
 H    3.615300       2.048700       2.353400    
 H    5.110200       2.915400       1.934000    
 H   -2.144300      -4.354300       2.601100    
 H   -3.219100      -2.030200      -1.062300    


%chk=000155587-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155587

0 1
O -0.226582 0.410790 -0.421236
O 4.494371 1.646123 0.629235
O 2.280062 3.659914 0.303705
O 3.385969 -2.465375 -1.560498
O -2.288463 -2.142045 -1.499073
C -0.725129 1.516059 0.438032
C 0.034016 2.794395 0.051912
C 1.157961 0.223108 -0.424037
C 2.064344 1.242228 0.055422
C 1.572825 -1.009221 -0.975188
C 1.552696 2.622565 0.186558
C -2.227128 1.617167 0.246217
C 0.563626 -2.021632 -1.495115
C 3.462299 0.884048 0.092454
C 2.969167 -1.243642 -1.010801
C 3.900112 -0.333537 -0.464448
C -0.222873 -2.713398 -0.381687
C -3.016193 2.205040 1.265621
C -2.848518 1.184271 -0.950904
C -1.641803 -2.745435 -0.398570
C 0.434505 -3.343923 0.701443
C -4.406937 2.375276 1.087546
C -4.240838 1.352755 -1.126680
C -5.024107 1.951812 -0.112584
C -2.376687 -3.367162 0.639264
C -0.282106 -3.977427 1.741670
C 4.294554 2.436835 1.860930
C -1.695324 -3.982585 1.711505
H -0.486833 1.247950 1.489678
H -0.278355 3.650163 0.674872
H -0.200175 3.057038 -0.999125
H 1.107852 -2.778778 -2.086697
H -0.152830 -1.521933 -2.167908
H 4.970524 -0.561509 -0.416393
H -2.545440 2.527687 2.203254
H -2.241585 0.699531 -1.720898
H 1.530679 -3.327250 0.724857
H -5.006851 2.831973 1.882558
H -4.713848 1.022595 -2.058997
H 4.373020 -2.531244 -1.565003
H -6.102707 2.084502 -0.253312
H -3.474478 -3.373207 0.607967
H 0.254328 -4.458426 2.566519
H 3.588306 1.923405 2.540460
H 3.908913 3.434444 1.603214
H 5.293753 2.490945 2.320789
H -2.266670 -4.464271 2.512685
H -3.258722 -2.058017 -1.326316


