%chk=000096379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096379

0 1
 O   -2.351900      0.1519000      3.4800000E-02
 O   -1.403600      -1.923700      0.3745000    
 C    2.481800     -0.1684000     -0.3683000    
 C    2.707600      0.9604000      0.6466000    
 C    3.674900      -1.133600     -0.3865000    
 C    4.024400       1.691000      0.3933000    
 C    4.990000     -0.3995000     -0.6380000    
 C    5.206700      0.7274000      0.3672000    
 C    1.186400     -0.9179000     -6.2199999E-02
 C  -2.2200000E-02  4.8000002E-03 -0.1626000    
 C   -1.312800     -0.7313000      0.1168000    
 C   -4.713500      0.6948000      0.1538000    
 C   -3.650000     -0.3998000      0.2776000    
 C   -4.725100       1.304400      -1.249600    
 C   -6.092700      0.1396000      0.5027000    
 H    2.397000      0.2794000      -1.368300    
 H    2.707000      0.5560000       1.666800    
 H    1.910900       1.708600      0.5948000    
 H    3.531100      -1.892400      -1.164900    
 H    3.737500      -1.667700      0.5703000    
 H    4.182600       2.446400       1.171300    
 H    3.967800       2.224900     -0.5635000    
 H    4.988800      1.3000000E-02  -1.654400    
 H    5.823900      -1.108400     -0.5822000    
 H    6.122900       1.274100      0.1170000    
 H    5.351800      0.3010000       1.367500    
 H    1.232400      -1.366600      0.9385000    
 H    1.067600      -1.749200     -0.7690000    
 H  -8.4600002E-02  0.4375000      -1.167100    
 H   3.2699998E-02  0.8087000      0.5770000    
 H   -4.468600       1.499700      0.8585000    
 H   -3.670300     -0.8232000       1.289100    
 H   -3.842900      -1.201700     -0.4459000    
 H   -5.490600       2.084000      -1.327100    
 H   -4.937700      0.5452000      -2.010000    
 H   -3.760800       1.764000      -1.489700    
 H   -6.853900      0.9249000      0.4467000    
 H   -6.103500     -0.2632000       1.521100    
 H   -6.383700     -0.6637000     -0.1827000    


%chk=000096379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096379

0 1
O -2.444318 0.171966 0.136053
O -1.477121 -1.933152 0.382185
C 2.510767 -0.106109 -0.286324
C 2.876670 1.011190 0.727409
C 3.680987 -1.119070 -0.401456
C 4.214480 1.704747 0.372749
C 5.018817 -0.431454 -0.761867
C 5.369033 0.681828 0.253710
C 1.194881 -0.838466 0.074176
C -0.050452 0.069002 0.031932
C -1.351479 -0.699477 0.204769
C -4.839363 0.661919 0.101085
C -3.795406 -0.448168 0.284181
C -4.768824 1.277119 -1.314798
C -6.246332 0.090154 0.400282
H 2.380814 0.371507 -1.284537
H 2.954906 0.558115 1.739148
H 2.070173 1.769034 0.777379
H 3.433478 -1.890961 -1.157342
H 3.791814 -1.648228 0.569048
H 4.457414 2.471301 1.134455
H 4.101732 2.238951 -0.593889
H 4.939350 0.014084 -1.775534
H 5.832587 -1.181500 -0.804922
H 6.305703 1.192979 -0.042919
H 5.553104 0.223553 1.247764
H 1.286869 -1.291915 1.081116
H 1.042710 -1.682526 -0.626032
H -0.104676 0.616640 -0.930233
H -0.013760 0.848771 0.816058
H -4.615572 1.455967 0.841769
H -3.855615 -0.913901 1.285539
H -3.903424 -1.245114 -0.476458
H -5.490424 2.108169 -1.417958
H -5.013848 0.518487 -2.083533
H -3.758022 1.666831 -1.525423
H -7.013963 0.877746 0.294991
H -6.314324 -0.315336 1.427175
H -6.501965 -0.723281 -0.305848


