%chk=000104881.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104881

0 1
 O   -5.196400     -0.3257000       1.678600    
 O    5.499400     -0.2044000     -0.7145000    
 C  -0.7078000     -0.3685000      0.1656000    
 C   2.3000000E-02  0.9541000     -0.2359000    
 C    1.420800      0.9495000      0.3932000    
 C    2.284800     -0.2453000     -6.6500001E-02
 C   -2.177100     -0.4219000     -0.3971000    
 C   -2.919900      0.8519000      0.1198000    
 C   0.1477000      -1.623200     -0.1515000    
 C    1.586300      -1.533500      0.3897000    
 C  -0.7824000       2.189100      0.1928000    
 C    3.591500      8.8500001E-02  0.6867000    
 C    2.334200       2.151300      0.1774000    
 C   -2.223900       2.148700     -0.3097000    
 C   -2.931500      -1.664200      0.1561000    
 C    3.732200       1.618800      0.5393000    
 C   -4.412700      0.8680000     -0.2512000    
 C    2.526700     -0.2930000      -1.598400    
 C   -2.169700     -0.5038000      -1.945400    
 C   -4.430000      -1.669800     -0.1728000    
 C   -5.133100     -0.3829000      0.2536000    
 C    4.804600     -0.6433000      0.2008000    
 C    5.133300      -1.940300      0.8893000    
 H  -0.7984000     -0.3507000       1.263600    
 H   0.1275000       1.001900      -1.324400    
 H    1.273900      0.8716000       1.483900    
 H   -2.875700      0.8317000       1.219900    
 H   0.1824000      -1.800000      -1.230700    
 H  -0.3163000      -2.511600      0.2911000    
 H    1.552000      -1.577000       1.485900    
 H    2.144900      -2.416500      6.0400002E-02
 H  -0.3032000       3.100500     -0.1835000    
 H  -0.7880000       2.265900       1.287700    
 H    3.477000     -0.1274000       1.758100    
 H    2.056200       2.999600      0.8111000    
 H    2.310000       2.492800     -0.8633000    
 H   -2.761700       3.012600      9.9900000E-02
 H   -2.244700       2.260400      -1.399700    
 H   -2.811300      -1.709100       1.246600    
 H   -2.495300      -2.588200     -0.2415000    
 H    4.455300       1.930100     -0.2217000    
 H    4.069900       2.051700       1.488400    
 H   -4.878300       1.754000      0.1994000    
 H   -4.539500      0.9608000      -1.335300    
 H    3.074700      0.5807000      -1.965000    
 H    3.109500      -1.180600      -1.870700    
 H    1.597400     -0.3452000      -2.171600    
 H   -1.595200      0.3018000      -2.408900    
 H   -1.739500      -1.450000      -2.290000    
 H   -3.175500     -0.4501000      -2.370800    
 H   -4.572400      -1.825600      -1.248000    
 H   -4.888400      -2.528300      0.3331000    
 H   -6.164900     -0.3818000     -0.1147000    
 H    5.246200      -1.771200       1.963100    
 H    4.349800      -2.676100      0.7027000    
 H    6.078300      -2.329900      0.4995000    
 H   -5.681700      -1.111600       1.982500    


%chk=000104881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104881

0 1
O -5.178873 -0.308197 1.758920
O 5.633977 -0.254525 -0.649823
C -0.716266 -0.353975 0.122966
C 0.011906 0.976061 -0.269122
C 1.423826 0.972973 0.357228
C 2.305114 -0.242637 -0.083090
C -2.192900 -0.419345 -0.430092
C -2.949501 0.847928 0.114289
C 0.144368 -1.602480 -0.223901
C 1.582843 -1.537604 0.358880
C -0.802473 2.212926 0.185055
C 3.633684 0.111199 0.710062
C 2.349980 2.196714 0.158208
C -2.265358 2.166178 -0.306868
C -2.922218 -1.671209 0.153829
C 3.771751 1.660999 0.540573
C -4.457255 0.842697 -0.230020
C 2.588566 -0.266286 -1.608863
C -2.206598 -0.490546 -1.982784
C -4.434266 -1.705923 -0.171919
C -5.165807 -0.423057 0.278510
C 4.865078 -0.674625 0.259288
C 5.133030 -2.002126 0.962084
H -0.813006 -0.331009 1.235181
H 0.114164 1.023948 -1.373985
H 1.274792 0.856931 1.457252
H -2.886973 0.783951 1.222782
H 0.206368 -1.726142 -1.322074
H -0.348098 -2.513165 0.165718
H 1.526529 -1.563579 1.468363
H 2.143241 -2.439085 0.038215
H -0.306905 3.136690 -0.171642
H -0.797028 2.255644 1.295719
H 3.437879 -0.143115 1.772510
H 2.049614 3.055719 0.783610
H 2.324378 2.536602 -0.894821
H -2.830468 3.022889 0.112597
H -2.298460 2.280767 -1.410000
H -2.794112 -1.671012 1.255671
H -2.456842 -2.599685 -0.229516
H 4.517801 1.878427 -0.243362
H 4.138601 2.117275 1.477617
H -4.943897 1.722662 0.232700
H -4.613863 0.926789 -1.323711
H 3.207089 0.589541 -1.927222
H 3.141747 -1.182413 -1.886444
H 1.656073 -0.250777 -2.197408
H -1.621989 0.324294 -2.443303
H -1.780614 -1.447925 -2.335251
H -3.231679 -0.422448 -2.387752
H -4.587279 -1.832931 -1.262073
H -4.902431 -2.590460 0.308843
H -6.215378 -0.442586 -0.089557
H 5.503218 -1.803869 1.987686
H 4.206006 -2.594527 1.066206
H 5.895897 -2.580197 0.417039
H -5.591985 -1.127039 2.134002


