%chk=000066410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066410

0 1
 O    4.400200       1.831600      0.1034000    
 O   -6.207400     -0.4165000      0.8911000    
 C    2.046700       1.036500     -2.1400001E-02
 C    1.498200     -0.3228000     -0.4960000    
 C   3.1700000E-02 -0.5436000     -0.1158000    
 C    3.512500      0.9115000     -0.5008000    
 C    2.549500      -1.312900     -3.5999999E-03
 C    3.885600     -0.5854000     -0.2901000    
 C  -0.8393000      0.5921000     -0.7272000    
 C    1.239400       2.136400     -0.7266000    
 C  -0.2651000       2.002900     -0.4364000    
 C  -0.4537000      -1.941800     -0.5473000    
 C    1.982100       1.257500       1.510400    
 C   -2.278800      0.3770000     -0.2775000    
 C    4.942800     -0.8802000      0.7649000    
 C   -1.941300      -2.042300     -0.8967000    
 C   -2.790600     -0.9362000     -0.3322000    
 C    5.279300      -2.359300      0.8185000    
 C   -3.119300       1.408400      0.1641000    
 C   -4.113200      -1.193700      5.3500000E-02
 C   -4.431700       1.139800      0.5593000    
 C   -4.927500     -0.1592000      0.5065000    
 H    1.541900     -0.3493000      -1.598100    
 H  -6.8099998E-02 -0.5057000      0.9775000    
 H    3.555600       1.107300      -1.581000    
 H    2.415400      -1.525000       1.063100    
 H    2.496200      -2.266000     -0.5404000    
 H    4.264800     -0.9526000      -1.254800    
 H  -0.8347000      0.4783000      -1.821800    
 H    1.390700       2.079300      -1.812300    
 H    1.587000       3.129700     -0.4184000    
 H  -0.4518000       2.278500      0.6084000    
 H  -0.7977000       2.745700      -1.044200    
 H  -0.2307000      -2.644300      0.2672000    
 H   0.1184000      -2.308000      -1.409500    
 H    2.582000      0.5298000       2.063100    
 H    2.364900       2.250900       1.771300    
 H   0.9663000       1.193700       1.908700    
 H    4.614500     -0.5463000       1.755000    
 H    5.858800     -0.3254000      0.5296000    
 H   -2.312900      -3.021200     -0.5698000    
 H   -2.054900      -2.016600      -1.988500    
 H    4.058000       2.725200     -6.8800002E-02
 H    4.424900      -2.960300       1.143900    
 H    5.607300      -2.726600     -0.1594000    
 H    6.092900      -2.532100       1.530700    
 H   -2.776000       2.437400      0.2108000    
 H   -4.505100      -2.206300     -8.0000004E-03
 H   -5.063900       1.953800      0.9043000    
 H   -6.382400      -1.367800      0.7890000    


%chk=000066410-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066410

0 1
O 4.494475 1.771510 0.007696
O -6.325135 -0.382972 0.920625
C 2.039016 1.024219 -0.050448
C 1.466208 -0.370635 -0.458500
C -0.008239 -0.569648 -0.055602
C 3.500694 0.859305 -0.577649
C 2.549125 -1.362583 0.032176
C 3.904070 -0.638581 -0.292686
C -0.870062 0.578363 -0.703225
C 1.205396 2.116657 -0.764584
C -0.300211 1.990836 -0.414336
C -0.548664 -1.982217 -0.455596
C 2.051839 1.264867 1.481379
C -2.324558 0.388063 -0.281916
C 4.993441 -0.828511 0.790116
C -1.972222 -1.957279 -1.093291
C -2.869684 -0.917152 -0.452541
C 5.472336 -2.293962 0.883314
C -3.141136 1.395446 0.285243
C -4.196116 -1.195207 -0.057773
C -4.469963 1.128077 0.678433
C -4.993407 -0.171401 0.507540
H 1.487930 -0.399863 -1.575386
H -0.100831 -0.460543 1.043753
H 3.476175 1.020660 -1.680568
H 2.455319 -1.535406 1.122637
H 2.476187 -2.349286 -0.458371
H 4.315679 -1.059475 -1.233060
H -0.805222 0.421083 -1.806343
H 1.334876 2.011082 -1.863187
H 1.559183 3.133233 -0.492457
H -0.451447 2.239463 0.654339
H -0.874388 2.741075 -0.993126
H -0.563596 -2.630068 0.440249
H 0.146126 -2.456572 -1.175847
H 2.679606 0.527569 2.007227
H 2.474173 2.261084 1.705856
H 1.039501 1.220776 1.917668
H 4.607210 -0.499149 1.774151
H 5.846323 -0.164446 0.561583
H -2.428001 -2.963661 -1.047895
H -1.863677 -1.710701 -2.170454
H 4.250250 2.699860 -0.236590
H 4.643379 -2.978163 1.144652
H 5.896098 -2.634414 -0.081304
H 6.256877 -2.407954 1.654066
H -2.748425 2.407291 0.425848
H -4.603339 -2.207069 -0.193127
H -5.106380 1.903174 1.115436
H -6.595287 -1.320874 0.759576


