%chk=000031377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031377

0 1
 O   -3.237700       1.537800       1.235700    
 O   -4.422800       1.655000     -0.7439000    
 C  -0.4622000      -1.215000     -7.6499999E-02
 C   -1.385800      4.4199999E-02 -0.2559000    
 C   0.9570000     -0.6659000      0.3662000    
 C   -2.929000     -0.2054000     -0.3160000    
 C   -1.039200      -2.118900       1.042900    
 C   -3.362100      -1.182900      0.7962000    
 C  -0.8554000      0.9519000      -1.387100    
 C   -2.517100      -2.448100      0.8545000    
 C    1.453600      0.4827000     -0.5090000    
 C  -0.3228000      -2.057100      -1.368900    
 C    2.046700      -1.751900      0.4830000    
 C   0.6249000       1.190600      -1.297300    
 C   -3.480900     -0.6581000      -1.676200    
 C   -3.630300       1.100300      5.4000001E-03
 C    3.369100      -1.168100      0.9918000    
 C    2.869000      0.8098000     -0.4404000    
 C    3.761400      8.9599997E-02  0.2613000    
 C    5.203800      0.4904000      0.3596000    
 C    5.844700      0.4968000      -1.024100    
 C    5.341300       1.853400       1.031300    
 C   -3.826300       2.768900       1.667300    
 H   -1.214000      0.6197000      0.6678000    
 H   0.8374000     -0.2381000       1.374700    
 H  -0.9183000      -1.623400       2.015300    
 H  -0.4798000      -3.059700       1.106700    
 H   -4.416400      -1.461400      0.6659000    
 H   -3.308500     -0.7196000       1.789700    
 H   -1.360200       1.924000      -1.340800    
 H   -1.067900      0.5276000      -2.373800    
 H   -2.855200      -3.065900       1.695200    
 H   -2.667900      -3.050700     -4.7300000E-02
 H   -1.280800      -2.399700      -1.755200    
 H   0.1775000      -1.511900      -2.174400    
 H   0.2599000      -2.966900      -1.186700    
 H    2.233100      -2.215800     -0.4937000    
 H    1.733400      -2.550500       1.163500    
 H    1.013400       1.995900      -1.916700    
 H   -4.576200     -0.7301000      -1.653300    
 H   -3.234000      4.2800002E-02  -2.480200    
 H   -3.125800      -1.645600      -1.969200    
 H    4.144800      -1.933700      0.8697000    
 H    3.294000     -0.9480000       2.063600    
 H    3.189000       1.699700     -0.9765000    
 H    5.745800     -0.2380000      0.9762000    
 H    5.427400       1.270700      -1.677600    
 H    5.721000     -0.4713000      -1.522600    
 H    6.920600      0.6885000     -0.9423000    
 H    4.857600       1.859600       2.014700    
 H    4.904200       2.661000      0.4337000    
 H    6.398800       2.097300       1.183000    
 H   -3.432100       3.004500       2.659300    
 H   -4.913300       2.665000       1.736400    
 H   -3.557300       3.577500      0.9810000    


%chk=000031377-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031377

0 1
O -3.389354 1.501037 1.391506
O -4.526481 1.698056 -0.618408
C -0.459124 -1.187089 -0.163401
C -1.427566 0.055824 -0.174281
C 0.921337 -0.635372 0.366112
C -2.982049 -0.243179 -0.270395
C -0.991617 -2.245661 0.851309
C -3.359233 -1.331005 0.792306
C -0.963355 1.112528 -1.205687
C -2.483223 -2.593440 0.662799
C 1.391305 0.615900 -0.388649
C -0.261465 -1.835404 -1.560830
C 2.068039 -1.680472 0.401762
C 0.516195 1.399140 -1.092253
C -3.503502 -0.664209 -1.668367
C -3.718739 1.064029 0.099681
C 3.341472 -1.078109 1.035151
C 2.814343 0.973696 -0.297203
C 3.752605 0.231283 0.369509
C 5.226037 0.621943 0.486474
C 6.100401 -0.231349 -0.481093
C 5.511336 2.125351 0.269260
C -4.049255 2.751736 1.833121
H -1.303787 0.516280 0.828419
H 0.748529 -0.327081 1.423894
H -0.854424 -1.851118 1.881093
H -0.383647 -3.168122 0.779218
H -4.431002 -1.589153 0.681302
H -3.226829 -0.905486 1.804946
H -1.537035 2.052328 -1.065063
H -1.197064 0.781967 -2.240356
H -2.791212 -3.328301 1.432154
H -2.645576 -3.085141 -0.315946
H -1.211901 -2.157826 -2.014625
H 0.230380 -1.138768 -2.262429
H 0.379073 -2.731974 -1.477515
H 2.309041 -2.008076 -0.627331
H 1.755052 -2.574580 0.972591
H 0.896943 2.289836 -1.614118
H -4.607222 -0.682681 -1.662319
H -3.201425 0.045395 -2.455639
H -3.146818 -1.667849 -1.945797
H 4.172549 -1.809228 0.979582
H 3.171505 -0.897981 2.119545
H 3.108473 1.913451 -0.783765
H 5.544172 0.364470 1.521478
H 5.856750 0.013545 -1.531326
H 5.936371 -1.314821 -0.337890
H 7.175038 -0.026227 -0.317656
H 4.895537 2.753447 0.937983
H 5.301929 2.428210 -0.773993
H 6.576276 2.346028 0.468745
H -3.666846 2.927760 2.848515
H -5.145224 2.626209 1.835462
H -3.785610 3.583751 1.158419


