%chk=000061294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061294

0 1
 O   -2.948900      -1.390100      0.5508000    
 O   -4.002600     -0.5396000      -1.316500    
 C    1.178400      -1.926200     -0.5288000    
 C    2.335600      -1.689600      0.4460000    
 C  -0.1668000      -2.148600      0.1663000    
 C   -1.699400       1.929300      0.1107000    
 C  -0.3956000       2.522400      0.6485000    
 C    3.692900      -1.540700     -0.2450000    
 C   -1.279300      -2.402300     -0.8501000    
 C   -2.570500       1.382900       1.246300    
 C   0.4905000       3.038600     -0.4866000    
 C   -3.869200      0.7579000      0.7370000    
 C    4.819200      -1.379500      0.7771000    
 C   -2.629600      -2.583900     -0.1715000    
 C    1.807500       3.600600      4.7800001E-02
 C   -3.643000     -0.4458000     -0.1509000    
 C    6.175400      -1.269300      9.8700002E-02
 C    2.705300       4.083900      -1.079900    
 H    1.409100      -2.799700      -1.151200    
 H    1.100800      -1.066200      -1.205600    
 H    2.128200     -0.7898000       1.038400    
 H    2.381700      -2.529000       1.151000    
 H  -0.3991000      -1.267500      0.7757000    
 H  -9.0499997E-02  -3.002800      0.8496000    
 H   -2.254600       2.696500     -0.4422000    
 H   -1.461200       1.127700     -0.5982000    
 H  -0.6211000       3.341300       1.342200    
 H   0.1473000       1.756600       1.216300    
 H    3.885100      -2.423900     -0.8661000    
 H    3.670500     -0.6725000     -0.9145000    
 H   -1.326400      -1.556400      -1.546200    
 H   -1.047700      -3.298600      -1.436900    
 H   -2.000000      0.6465000       1.824700    
 H   -2.821300       2.199600       1.934000    
 H  -4.2900000E-02   3.816500      -1.046200    
 H   0.6996000       2.221500      -1.188000    
 H   -4.498900      0.4448000       1.577600    
 H   -4.443400       1.497600      0.1671000    
 H    4.644900     -0.4835000       1.384100    
 H    4.829500      -2.237300       1.459700    
 H   -2.587500      -3.404000      0.5533000    
 H   -3.409500      -2.839000     -0.8982000    
 H    2.336200       2.829800      0.6208000    
 H    1.606800       4.433300      0.7319000    
 H    6.394000      -2.166200     -0.4896000    
 H    6.965300      -1.153000      0.8472000    
 H    6.210000     -0.4028000     -0.5695000    
 H    2.218600       4.877100      -1.656400    
 H    2.952800       3.264800      -1.762700    
 H    3.640700       4.483000     -0.6752000    


%chk=000061294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061294

0 1
O -3.156335 -1.329602 0.603322
O -4.081811 -0.676217 -1.436629
C 1.058576 -1.915254 -0.587096
C 2.219759 -1.441320 0.315952
C -0.256204 -2.147181 0.190355
C -1.608163 1.802762 0.098338
C -0.318465 2.329850 0.766148
C 3.531351 -1.174011 -0.455924
C -1.432785 -2.556511 -0.723032
C -2.732330 1.500167 1.114415
C 0.846561 2.530272 -0.229844
C -4.012712 0.914903 0.461748
C 4.677876 -0.664672 0.447546
C -2.781671 -2.649800 0.005514
C 2.140588 3.050972 0.435795
C -3.773676 -0.407860 -0.252004
C 5.986797 -0.401696 -0.327827
C 3.313800 3.198801 -0.557191
H 1.353901 -2.849086 -1.109992
H 0.883464 -1.158289 -1.380821
H 1.912236 -0.513084 0.843032
H 2.405856 -2.198971 1.105860
H -0.525996 -1.220553 0.734782
H -0.096841 -2.927255 0.963994
H -1.968992 2.537923 -0.650384
H -1.366278 0.879148 -0.467189
H -0.532747 3.289084 1.282451
H -0.001045 1.616322 1.556053
H 3.854555 -2.104251 -0.968588
H 3.340722 -0.429075 -1.257565
H -1.533123 -1.840476 -1.561328
H -1.227422 -3.547029 -1.179517
H -2.361341 0.786800 1.874145
H -3.007440 2.430602 1.650262
H 0.534466 3.235797 -1.028078
H 1.061225 1.565010 -0.735923
H -4.779333 0.749871 1.243669
H -4.432318 1.613431 -0.282728
H 4.353209 0.268290 0.953075
H 4.863676 -1.405783 1.251729
H -2.734790 -3.322495 0.878261
H -3.586131 -2.963824 -0.683055
H 2.433333 2.358293 1.252214
H 1.935474 4.028739 0.917783
H 6.346637 -1.323526 -0.822850
H 6.790087 -0.041677 0.341133
H 5.834481 0.362492 -1.113797
H 3.057381 3.899415 -1.374294
H 3.565696 2.224295 -1.017737
H 4.223144 3.580659 -0.057384


