%chk=000130593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130593

0 1
 O    4.755600      -2.259600      0.3389000    
 O    4.324200       2.452100     -0.2935000    
 O   -6.132400      0.1997000     -7.1199998E-02
 O   -4.515800      -1.681200      -1.326300    
 C    1.799000     -0.1636000     -4.4599999E-02
 C   -1.999500      0.5666000      7.9999998E-02
 C   0.3325000     -0.3027000     -8.1900001E-02
 C    2.364800       1.092800     -0.1875000    
 C    2.583300      -1.291900      0.1317000    
 C  -0.5522000      0.6991000      0.1355000    
 C    3.971500      -1.160200      0.1659000    
 C    3.753000       1.224600     -0.1534000    
 C   -2.576200     -0.5042000     -0.6029000    
 C    4.556300      9.7999997E-02  2.3399999E-02
 C   -2.810900       1.510700      0.7095000    
 C   -3.964300     -0.6311000     -0.6562000    
 C   -4.775600      0.3128000     -2.6600000E-02
 C   -4.198900       1.383800      0.6561000    
 C    4.091900      -3.514700      0.4787000    
 C    5.748800       2.514300     -0.2487000    
 C   -6.755300     -0.5454000      0.9733000    
 H  -1.3400000E-02  -1.311700     -0.2892000    
 H    1.775000       1.989900     -0.3497000    
 H    2.079300      -2.246600      0.2399000    
 H  -0.2040000       1.695300      0.3940000    
 H   -1.981200      -1.248400      -1.124900    
 H    5.640200      0.1350000      5.8600001E-02
 H   -2.380100       2.351500       1.247700    
 H   -4.825000       2.123000       1.148500    
 H    3.466600      -3.541800       1.377500    
 H    4.867200      -4.277200      0.6068000    
 H    3.532700      -3.777600     -0.4257000    
 H    6.135300       2.195800      0.7254000    
 H    6.030500       3.564800     -0.3759000    
 H    6.202300       1.959800      -1.077300    
 H   -5.484000      -1.592700      -1.296600    
 H   -6.590800     -5.8100000E-02   1.939600    
 H   -6.373700      -1.570900       1.000700    
 H   -7.830500     -0.5776000      0.7767000    


%chk=000130593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130593

0 1
O 5.054434 -2.216735 -0.282598
O 4.267859 2.541813 0.295518
O -6.231865 -0.482032 0.261682
O -4.556890 -2.530848 -0.112158
C 1.851918 -0.239652 0.036726
C -2.039617 0.206982 0.219526
C 0.399249 -0.485988 0.049921
C 2.417770 1.051789 0.172901
C 2.718346 -1.364897 -0.120754
C -0.589767 0.449263 0.206153
C 4.116167 -1.179782 -0.136614
C 3.822214 1.216790 0.153199
C -2.614674 -1.087649 0.041377
C 4.686506 0.110268 -0.000419
C -2.915243 1.311027 0.417842
C -4.003347 -1.257772 0.064178
C -4.864190 -0.136668 0.266295
C -4.318948 1.148117 0.442821
C 4.539026 -3.579436 -0.425899
C 5.713172 2.774410 0.280943
C -7.203417 0.593347 0.467084
H 0.111034 -1.539228 -0.078199
H 1.798524 1.944459 0.293532
H 2.277642 -2.360986 -0.226217
H -0.300535 1.501295 0.340245
H -1.994360 -1.974003 -0.118498
H 5.774926 0.201528 -0.019417
H -2.490050 2.311868 0.555463
H -4.965723 2.017124 0.597974
H 3.955115 -3.885381 0.464091
H 5.431441 -4.215674 -0.520423
H 3.911396 -3.680407 -1.332840
H 6.214930 2.247625 1.116041
H 5.830664 3.861217 0.403882
H 6.163012 2.456234 -0.679844
H -5.546683 -2.450880 -0.065780
H -7.124734 1.354128 -0.332807
H -7.058966 1.071598 1.454601
H -8.190133 0.109536 0.426776


