%chk=000099781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099781

0 1
 O    5.351400       1.140600      0.2273000    
 O    1.222000      -1.024000      0.1162000    
 O   -2.121400      -2.477200     -7.3200002E-02
 O  -0.8080000       2.478600      0.3457000    
 O   -5.552500       1.848500     -9.2100002E-02
 O  -3.2400001E-02  -3.373200     -7.9200000E-02
 O   -6.542100     -0.7432000     -0.2161000    
 C    4.211500     -0.9990000      9.0300001E-02
 C    3.272300      0.1424000      0.1919000    
 C    5.517800     -0.2818000      0.4663000    
 C    3.992600       1.325400      0.2426000    
 C    1.888800      0.1600000      0.1795000    
 C    1.240000       1.386900      0.2315000    
 C    6.694600     -0.7727000     -0.3086000    
 C  -0.9382000      8.8600002E-02  9.6100003E-02
 C    3.372100       2.558700      0.2819000    
 C  -0.2313000       1.405500      0.2298000    
 C    1.975800       2.587100      0.2822000    
 C  -0.1617000      -1.014500      6.0899999E-02
 C   -2.406600     -5.4600000E-02  1.4100000E-02
 C   -2.945200      -1.339800     -5.9999999E-02
 C    6.942600     -0.1051000      -1.628700    
 C  -0.7446000      -2.374500     -3.7900001E-02
 C   -3.321500       1.008200     -4.1000000E-03
 C    7.485700      -1.754200      0.1494000    
 C   -4.320000      -1.585400     -0.1348000    
 C   -4.703300      0.7818000     -7.9300001E-02
 C   -5.202800     -0.5145000     -0.1425000    
 C   -5.890200       2.391200      -1.366400    
 C   -7.245000     -0.8897000       1.017100    
 H    3.983000      -1.806700      0.7921000    
 H    4.217400      -1.391500     -0.9324000    
 H    5.701500     -0.3916000       1.545300    
 H    3.945100       3.478700      0.3153000    
 H    1.474000       3.550600      0.3179000    
 H    6.046600     -0.1417000      -2.256800    
 H    7.234000      0.9410000      -1.490600    
 H    7.748300     -0.5958000      -2.185900    
 H   -2.998300       2.042300      3.5300002E-02
 H    8.339800      -2.104200     -0.4204000    
 H    7.294600      -2.230600       1.105300    
 H   -4.692400      -2.604800     -0.1901000    
 H   -6.389500       1.639400      -1.985900    
 H   -4.994800       2.762700      -1.874700    
 H   -6.576700       3.228100      -1.211500    
 H   -6.862900      -1.749900       1.575800    
 H   -8.301100      -1.060100      0.7911000    
 H   -7.158100      1.9500000E-02   1.620200    


%chk=000099781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099781

0 1
O 5.438674 1.091383 0.583642
O 1.282354 -1.108715 0.140592
O -2.054094 -2.543525 -0.201725
O -0.850191 2.495557 0.302873
O -5.527912 1.873315 -0.035136
O 0.030369 -3.515229 -0.146687
O -6.529824 -0.866347 -0.301064
C 4.329765 -1.103694 0.306358
C 3.356802 0.054193 0.375212
C 5.715927 -0.418437 0.579463
C 4.061308 1.266063 0.518723
C 1.961395 0.107918 0.291482
C 1.260380 1.346992 0.351817
C 6.806795 -0.709765 -0.432338
C -0.890530 0.061467 0.109628
C 3.418195 2.528243 0.581275
C -0.211177 1.391336 0.260191
C 2.017924 2.546188 0.496917
C -0.107098 -1.094228 0.056215
C -2.342663 -0.088957 0.009387
C -2.879498 -1.403357 -0.146422
C 6.574522 -0.230879 -1.850895
C -0.634003 -2.465446 -0.098524
C -3.276103 0.989016 0.039648
C 7.921366 -1.381496 -0.042558
C -4.259390 -1.653199 -0.234952
C -4.654307 0.760222 -0.069936
C -5.162484 -0.576201 -0.178167
C -6.185572 2.160111 -1.333180
C -7.405585 -0.372175 0.793100
H 4.117672 -1.880930 1.059743
H 4.303062 -1.598302 -0.681250
H 6.072996 -0.641535 1.599970
H 4.002304 3.444736 0.693512
H 1.459291 3.486191 0.540921
H 5.636532 -0.637690 -2.276047
H 6.484240 0.870792 -1.870849
H 7.404864 -0.525552 -2.513533
H -2.906973 2.011598 0.137122
H 8.710090 -1.645845 -0.755263
H 8.075581 -1.690572 0.998497
H -4.629773 -2.676433 -0.330173
H -6.778441 1.292433 -1.677619
H -5.425401 2.422592 -2.092562
H -6.841629 3.023304 -1.145388
H -7.182562 -0.927767 1.722696
H -8.430800 -0.591950 0.460544
H -7.265499 0.710076 0.954640


