%chk=000085529.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085529

0 1
 O  -0.8654000     -0.6782000       1.782500    
 O    1.065400     -0.7998000     -5.7700001E-02
 O  -0.5367000      -2.087500      -1.089000    
 C   -1.221100     -0.3003000      0.4368000    
 C   -2.688700     -0.6375000      0.1626000    
 C  -0.9576000       1.193600      0.2354000    
 C  -0.2272000      -1.183100     -0.3225000    
 C   -3.201200     -0.3780000      -1.087500    
 C   -1.107800       2.039600       1.310100    
 C   -3.438500      -1.187500       1.176500    
 C  -0.5800000       1.633600      -1.012400    
 C    2.082800      -1.524700     -0.7376000    
 C   -4.538600     -0.6854000      -1.337700    
 C  -0.8675000       3.401300       1.126700    
 C   -4.775900      -1.495000      0.9261000    
 C  -0.3395000       2.995300      -1.195600    
 C    3.418600     -0.9904000     -0.3444000    
 C   -5.325900      -1.244000     -0.3310000    
 C  -0.4834000       3.879200     -0.1260000    
 C    3.995800      4.9699999E-02  -1.073200    
 C    4.090700      -1.530200      0.7523000    
 C    5.245000      0.5497000     -0.7054000    
 C    5.339800      -1.030100       1.120000    
 C    5.916900      9.8999999E-03  0.3911000    
 H   -2.608400      3.2200001E-02  -1.896200    
 H   -1.420100       1.691200       2.289300    
 H   -3.046800      -1.395400       2.166000    
 H  -0.4575000      0.9668000      -1.859700    
 H  -2.6000000E-03 -0.2843000       1.999800    
 H    1.942800      -1.431800      -1.822000    
 H    2.012100      -2.590100     -0.4841000    
 H   -4.965600     -0.4954000      -2.318100    
 H  -0.9827000       4.090200       1.958400    
 H   -5.389600      -1.929900       1.709600    
 H  -3.9400000E-02   3.367600      -2.170800    
 H   -6.366800      -1.484700     -0.5263000    
 H  -0.2967000       4.939400     -0.2690000    
 H    3.480800      0.4808000      -1.927700    
 H    3.650700      -2.339000       1.329600    
 H    5.694000       1.360000      -1.272300    
 H    5.862900      -1.449800       1.974300    
 H    6.889300      0.3995000      0.6777000    


%chk=000085529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085529

0 1
O -0.441779 0.171150 1.598578
O 1.230068 -0.517672 -0.227771
O -0.336258 -0.790292 -1.928621
C -1.010827 0.260050 0.251442
C -2.358458 -0.496293 0.275181
C -1.189499 1.751647 -0.148629
C -0.051650 -0.419253 -0.771396
C -3.274903 -0.381317 -0.798376
C -1.447333 2.683484 0.888020
C -2.673305 -1.333736 1.371880
C -1.142994 2.204660 -1.490496
C 2.289536 -1.123970 -1.120313
C -4.490986 -1.097876 -0.774403
C -1.654197 4.046706 0.587380
C -3.894399 -2.044957 1.396112
C -1.345768 3.572170 -1.787661
C 3.573263 -1.173501 -0.334564
C -4.806906 -1.932067 0.323097
C -1.603465 4.498016 -0.752449
C 4.512012 -0.114743 -0.424371
C 3.856801 -2.277685 0.509142
C 5.713128 -0.156577 0.317799
C 5.055978 -2.321559 1.253420
C 5.986999 -1.260459 1.158535
H -3.046152 0.264694 -1.651014
H -1.474263 2.324854 1.921249
H -1.961707 -1.406965 2.197752
H -0.948123 1.500035 -2.306477
H 0.546617 0.226249 1.513254
H 2.360735 -0.489273 -2.020517
H 1.925961 -2.122631 -1.418464
H -5.192165 -1.002544 -1.611080
H -1.854981 4.756455 1.398000
H -4.131150 -2.686040 2.253034
H -1.302778 3.910904 -2.829057
H -5.753217 -2.484684 0.341367
H -1.761872 5.557071 -0.985090
H 4.300233 0.742870 -1.074382
H 3.135763 -3.100705 0.583477
H 6.432889 0.665556 0.240234
H 5.266216 -3.179174 1.901701
H 6.919336 -1.295101 1.733078


