%chk=000097616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097616

0 1
 O    3.898700       2.496100     -0.5109000    
 O   -6.011600      0.1798000      0.3656000    
 O    6.016000       1.156000      0.6923000    
 O   -4.873400       2.715700      0.3929000    
 C   0.2450000      -1.692000      0.3892000    
 C   -1.061300      -2.436500     -3.5500001E-02
 C    1.325700      -1.646700     -0.7193000    
 C   -1.809300      -1.747400      -1.200400    
 C   0.8747000      -2.263300       1.667600    
 C  -0.7605000      -3.906700     -0.3735000    
 C    2.578700     -0.8941000     -0.3434000    
 C   -2.633000     -0.5541000     -0.7734000    
 C    2.659400      0.4648000     -0.6038000    
 C   -3.953000     -0.7414000     -0.3986000    
 C    3.626400      -1.575400      0.2560000    
 C   -2.050900      0.7024000     -0.7653000    
 C    3.817300       1.160300     -0.2559000    
 C   -4.712900      0.3598000     -4.0000002E-03
 C    4.784500     -0.8799000      0.6036000    
 C   -2.810800       1.803600     -0.3712000    
 C    4.880000      0.4880000      0.3478000    
 C   -4.141800       1.632400      9.7000003E-03
 C    4.430200       2.883100      -1.776500    
 C   -6.518700      -1.152500      0.3235000    
 C    7.054900      0.3948000       1.305100    
 C   -4.854300       3.053400       1.778500    
 H  -3.2400001E-02 -0.6593000      0.6344000    
 H   -1.728800      -2.449900      0.8377000    
 H    1.615300      -2.663700      -1.012400    
 H   0.9218000      -1.191200      -1.630100    
 H   -1.133500      -1.461200      -2.012900    
 H   -2.493400      -2.471700      -1.664800    
 H   9.9200003E-02  -2.450100       2.419200    
 H    1.576200      -1.558200       2.124500    
 H    1.394900      -3.209400       1.489100    
 H   -1.697000      -4.448700     -0.5484000    
 H  -0.1593000      -4.001300      -1.282700    
 H  -0.2448000      -4.419500      0.4429000    
 H    1.831500      0.9915000      -1.071100    
 H   -4.339000      -1.754300     -0.4262000    
 H    3.569200      -2.642400      0.4510000    
 H   -1.017800      0.8484000      -1.066600    
 H    5.569700      -1.467400       1.066800    
 H   -2.359900       2.792300     -0.3650000    
 H    4.437900       3.975400      -1.825400    
 H    5.456600       2.520400      -1.890900    
 H    3.803600       2.500600      -2.588500    
 H   -5.994500      -1.806500       1.028600    
 H   -7.563700      -1.109500      0.6478000    
 H   -6.519300      -1.552500     -0.6962000    
 H    6.737800     -1.8900000E-02   2.268400    
 H    7.880300       1.084100       1.511700    
 H    7.444700     -0.3738000      0.6290000    
 H   -5.489500       3.931100       1.926000    
 H   -3.837000       3.299500       2.099000    
 H   -5.249600       2.230000       2.381500    


%chk=000097616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097616

0 1
O 2.493633 2.447132 0.200467
O -4.856123 0.874422 1.008751
O 5.141431 1.681237 0.917572
O -3.603002 3.068215 -0.280025
C 0.020517 -2.336259 0.226336
C -1.212036 -3.092795 -0.368859
C 1.217980 -2.234050 -0.769473
C -1.899587 -2.318002 -1.540519
C 0.475453 -2.949138 1.571285
C -0.894120 -4.538292 -0.821904
C 2.280144 -1.229605 -0.339775
C -2.351001 -0.905438 -1.195824
C 1.978498 0.156299 -0.285448
C -3.380704 -0.697084 -0.240286
C 3.588503 -1.635045 0.009437
C -1.765008 0.225869 -1.810103
C 2.933862 1.112570 0.111226
C -3.813098 0.603606 0.102645
C 4.562910 -0.693230 0.415813
C -2.180069 1.530960 -1.460921
C 4.246822 0.682537 0.482644
C -3.193525 1.740999 -0.505194
C 3.297690 3.481432 -0.481454
C -5.566407 -0.269270 1.583425
C 6.460619 1.245168 1.378153
C -3.610841 3.545165 1.118701
H -0.320153 -1.301228 0.434530
H -1.955897 -3.156435 0.455638
H 1.683014 -3.232648 -0.883682
H 0.831578 -1.946509 -1.767482
H -1.213598 -2.283358 -2.408702
H -2.772810 -2.920993 -1.864599
H -0.364211 -2.994630 2.290522
H 1.279249 -2.341857 2.024378
H 0.867232 -3.976004 1.440340
H -1.812746 -5.052808 -1.161940
H -0.179130 -4.546719 -1.665692
H -0.459543 -5.138481 -0.002762
H 0.981864 0.527073 -0.551766
H -3.854315 -1.569639 0.223044
H 3.854478 -2.697926 -0.029732
H -0.978599 0.090468 -2.561835
H 5.562564 -1.043809 0.690548
H -1.729861 2.415356 -1.922509
H 2.740091 4.418324 -0.328700
H 4.306538 3.552465 -0.043340
H 3.370087 3.261667 -1.564877
H -4.892318 -0.899002 2.196601
H -6.346857 0.169240 2.222821
H -6.034848 -0.887355 0.793188
H 6.375596 0.546349 2.232896
H 6.970439 2.165319 1.700338
H 7.037141 0.765351 0.562980
H -3.912709 4.601974 1.055707
H -2.596206 3.470105 1.556170
H -4.329413 2.972306 1.727743


