%chk=000068890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068890

0 1
 O    4.965700      0.2286000      0.3154000    
 O    4.034200      -1.799000      0.7814000    
 C  -0.1530000      0.6645000      0.3249000    
 C    2.696400     -5.9400000E-02 -0.2521000    
 C   0.1984000     -0.5490000     -0.5435000    
 C   0.9371000       1.738500      0.2352000    
 C    1.575800      -1.113700     -0.1961000    
 C    2.315600       1.177000      0.5830000    
 C   -1.510600       1.239100     -7.5999998E-02
 C    3.033300      0.3241000      -1.699200    
 C   -2.626000      0.2161000      0.1263000    
 C    3.945400     -0.6634000      0.3385000    
 C   -3.988100      0.8110000     -0.2433000    
 C   -5.154700     -0.1817000     -8.6099997E-02
 C   -4.916200      -1.406800     -0.9725000    
 C   -5.353300     -0.6256000       1.364100    
 H  -0.2111000      0.3331000       1.371200    
 H   0.1593000     -0.2827000      -1.606300    
 H  -0.5186000      -1.362400     -0.3952000    
 H   0.7042000       2.561800      0.9215000    
 H   0.9587000       2.170500     -0.7729000    
 H    1.516200      -1.543600      0.8136000    
 H    1.802800      -1.950900     -0.8690000    
 H    3.059500       1.975000      0.4627000    
 H    2.326400      0.9158000       1.650400    
 H   -1.490200       1.565600      -1.123400    
 H   -1.723200       2.128800      0.5301000    
 H    3.415800     -0.5394000      -2.256800    
 H    2.158700      0.7010000      -2.238200    
 H    3.799700       1.106200      -1.749500    
 H   -2.444800     -0.6530000     -0.5083000    
 H   -2.624200     -0.1199000       1.168400    
 H   -4.182800       1.692100      0.3811000    
 H   -3.959400       1.165600      -1.281700    
 H   -6.070000      0.3207000     -0.4227000    
 H   -4.118900      -2.053200     -0.5923000    
 H   -5.825500      -2.017000      -1.016800    
 H   -4.669200      -1.112500      -1.997900    
 H   -4.517600      -1.228700       1.732200    
 H   -6.260200      -1.233600       1.454200    
 H   -5.467100      0.2413000       2.023100    
 H    5.788300     -0.1456000      0.6971000    


%chk=000068890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068890

0 1
O 5.171114 0.358052 0.310384
O 4.283441 -1.679616 0.948710
C -0.113013 0.578198 0.276678
C 2.829064 -0.032963 -0.241318
C 0.337127 -0.633267 -0.579681
C 0.956725 1.696963 0.199546
C 1.741260 -1.143263 -0.181628
C 2.361998 1.201813 0.607779
C -1.506818 1.118556 -0.130769
C 3.140291 0.387432 -1.707288
C -2.678551 0.133485 0.091712
C 4.115771 -0.571164 0.391788
C -4.048470 0.779540 -0.224269
C -5.293156 -0.138562 -0.049607
C -5.268768 -1.351495 -1.012155
C -5.482547 -0.600281 1.416076
H -0.171121 0.239509 1.336255
H 0.317120 -0.342907 -1.651004
H -0.382164 -1.467006 -0.470383
H 0.667088 2.537159 0.861962
H 0.979428 2.107873 -0.830681
H 1.704998 -1.546195 0.848967
H 2.041084 -1.987800 -0.831214
H 3.106375 2.013516 0.512085
H 2.336934 0.907352 1.677331
H -1.480615 1.420415 -1.200218
H -1.710584 2.045952 0.446311
H 3.491860 -0.478490 -2.297916
H 2.235979 0.783625 -2.198483
H 3.921892 1.164740 -1.733270
H -2.535995 -0.762773 -0.542127
H -2.659658 -0.215000 1.144341
H -4.175052 1.673668 0.422416
H -4.029918 1.153139 -1.270194
H -6.176910 0.479225 -0.318868
H -4.449208 -2.049166 -0.758117
H -6.216962 -1.918202 -0.954939
H -5.127825 -1.028536 -2.061049
H -4.665765 -1.274615 1.734325
H -6.433788 -1.152261 1.535129
H -5.500628 0.261984 2.109324
H 5.974771 -0.033338 0.748663


