%chk=000108295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108295

0 1
 O   -2.348100       1.469900      0.8448000    
 O   0.6718000       4.753000     -0.7114000    
 C   -1.716500     -0.8884000       1.141600    
 C  -0.4639000     -0.7357000      0.2474000    
 C   -2.846400      0.1150000      0.7587000    
 C   -2.106200      -2.372400       1.251200    
 C  -0.1943000      0.7262000     -3.6699999E-02
 C   -2.279700      -3.093300     -8.5299999E-02
 C  -0.5069000      -1.590500     -0.9988000    
 C   -1.324500      -2.645300      -1.158000    
 C   -1.129200       1.718500      0.2763000    
 C   -3.978600      6.0699999E-02   1.802500    
 C   -3.488900     -4.4500001E-02 -0.6278000    
 C    1.041100       1.117800     -0.5824000    
 C    2.174100      0.1841000     -0.8635000    
 C  -0.8347000       3.067900      5.2000001E-02
 C   -1.337400      -3.450400      -2.424600    
 C    1.328300       2.462800     -0.8179000    
 C   0.3894000       3.438600     -0.5000000    
 C    3.094800     -7.3200002E-02  0.3412000    
 C    4.282500     -0.9784000      9.9999997E-05
 C    5.185800      -1.188000       1.216200    
 C    6.387600      -2.054300      0.8743000    
 H   -1.395200     -0.5859000       2.152200    
 H   0.3782000      -1.111000      0.8441000    
 H   -3.002100      -2.509800       1.865100    
 H   -1.301800      -2.883200       1.800200    
 H   -3.306500      -2.969200     -0.4441000    
 H   -2.149300      -4.169000      8.9100003E-02
 H   0.1008000      -1.322800      -1.855700    
 H   -4.692400      0.8787000       1.645800    
 H   -4.533500     -0.8813000       1.764600    
 H   -3.582700      0.1935000       2.815900    
 H   -4.054800     -0.9735000     -0.7201000    
 H   -4.186900      0.7806000     -0.8184000    
 H   -2.754900      6.0999999E-03  -1.436500    
 H    1.860900     -0.7792000      -1.256600    
 H    2.783500      0.5966000      -1.680800    
 H   -1.568400       3.828100      0.3113000    
 H  -0.6255000      -3.072200      -3.165800    
 H   -2.333700      -3.426100      -2.877800    
 H   -1.076100      -4.492600      -2.214600    
 H    2.289500       2.768200      -1.225500    
 H    2.523900     -0.5206000       1.162900    
 H    3.473200      0.8864000      0.7169000    
 H    3.914600      -1.947300     -0.3584000    
 H    4.861400     -0.5291000     -0.8158000    
 H    4.617300      -1.661800       2.024800    
 H    5.537600     -0.2196000       1.590700    
 H  -9.0000004E-02   5.288500     -0.4303000    
 H    6.996000      -1.590300      9.1399997E-02
 H    7.018800      -2.192500       1.757700    
 H    6.071800      -3.042300      0.5244000    


%chk=000108295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108295

0 1
O -2.357434 1.453153 0.864843
O 0.704905 4.855119 -0.706467
C -1.696802 -0.907568 1.123404
C -0.478042 -0.742342 0.170976
C -2.881701 0.038263 0.750858
C -2.032095 -2.414060 1.273676
C -0.169280 0.735149 -0.090746
C -2.291681 -3.163338 -0.057040
C -0.645444 -1.571452 -1.108482
C -1.435892 -2.673457 -1.215717
C -1.120106 1.733692 0.259769
C -3.991706 -0.002979 1.814111
C -3.476474 -0.083630 -0.667517
C 1.089368 1.165707 -0.614585
C 2.229843 0.187557 -0.882864
C -0.862260 3.111686 0.071242
C -1.562094 -3.452025 -2.511073
C 1.345699 2.540845 -0.817530
C 0.373583 3.504819 -0.476105
C 3.181447 0.034175 0.338743
C 4.327998 -0.965168 0.072141
C 5.295973 -1.120475 1.267794
C 6.428891 -2.133642 0.996174
H -1.378655 -0.548563 2.125062
H 0.395642 -1.163247 0.716939
H -2.887286 -2.555363 1.960542
H -1.158060 -2.882187 1.769001
H -3.360203 -3.086846 -0.351765
H -2.117001 -4.248837 0.096376
H -0.082241 -1.234263 -1.989370
H -4.675178 0.851225 1.668291
H -4.579603 -0.934066 1.734321
H -3.568158 0.064431 2.831638
H -3.932096 -1.074345 -0.830509
H -4.261514 0.684017 -0.788953
H -2.711242 0.072553 -1.443991
H 1.855337 -0.814902 -1.156016
H 2.827649 0.547129 -1.743234
H -1.635124 3.834768 0.356543
H -0.924922 -3.029649 -3.307467
H -2.609438 -3.452406 -2.876242
H -1.277179 -4.514083 -2.371283
H 2.303009 2.877446 -1.227430
H 2.597584 -0.296402 1.222478
H 3.599665 1.027013 0.598533
H 3.898953 -1.957377 -0.182292
H 4.900880 -0.637454 -0.821112
H 4.721529 -1.436971 2.162490
H 5.732721 -0.131197 1.513857
H -0.039685 5.446201 -0.433077
H 7.037535 -1.824301 0.125356
H 7.106056 -2.227348 1.865092
H 6.018129 -3.137506 0.777215


