%chk=000159637.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159637

0 1
 O   0.9779000      -1.173700       1.825700    
 O  -0.5529000      -1.204400      -1.824000    
 O    4.597000       1.330500      -1.372700    
 O    4.342700       2.194400      0.8639000    
 O   -4.709800      0.4577000     -0.2747000    
 O   -3.696400       2.528500      0.1306000    
 C    1.166200      -2.198200     -0.3668000    
 C   0.2710000      -2.010800      0.8712000    
 C    2.047100      -1.006200     -0.2212000    
 C   0.3608000      -2.291600      -1.652600    
 C   -1.066900      -1.387900      0.5492000    
 C    1.907100     -0.4976000       1.073300    
 C   -1.395500      -1.017300     -0.7601000    
 C    2.943800     -0.4467000      -1.118100    
 C    2.643000      0.5788000       1.536200    
 C   -1.995600      -1.153200       1.573500    
 C    3.669500      0.6360000     -0.6565000    
 C    3.524700       1.131300      0.6284000    
 C   -2.610200     -0.3840000      -1.033800    
 C   -3.217400     -0.5390000       1.296300    
 C   -3.522000     -0.1498000     -6.0000001E-03
 C    5.015900       2.314600     -0.4055000    
 C   -4.674700       1.858100     -0.1715000    
 C   -6.025200       2.430400     -0.4849000    
 H    1.794000      -3.090100     -0.2452000    
 H   8.9299999E-02  -2.986300       1.340400    
 H    1.025400      -2.293200      -2.523600    
 H  -0.2055000      -3.231600      -1.685400    
 H    3.077100     -0.8382000      -2.118500    
 H    2.530600      0.9654000       2.540800    
 H   -1.766900      -1.440000       2.597000    
 H   -2.850100     -8.1900001E-02  -2.050500    
 H   -3.923900     -0.3615000       2.102600    
 H    6.094500       2.208000     -0.2417000    
 H    4.819500       3.312800     -0.8135000    
 H   -6.311200       2.163500      -1.505200    
 H   -5.984300       3.520600     -0.4073000    
 H   -6.759900       2.056000      0.2320000    


%chk=000159637-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159637

0 1
O 1.045415 -1.121344 1.870788
O -0.500414 -1.234072 -1.868098
O 4.971816 1.063670 -1.414066
O 4.744185 2.027661 0.766056
O -4.428831 1.070659 -0.528369
O -5.596815 1.367746 1.500896
C 1.170277 -2.262441 -0.297164
C 0.232123 -1.998999 0.925774
C 2.150086 -1.096233 -0.208172
C 0.378309 -2.390614 -1.607419
C -1.043853 -1.266946 0.552949
C 2.036774 -0.511608 1.073476
C -1.323462 -0.878614 -0.785275
C 3.108460 -0.630044 -1.137400
C 2.845522 0.554868 1.525382
C -1.955542 -0.872443 1.559997
C 3.907810 0.434389 -0.704516
C 3.780669 1.002737 0.584538
C -2.456807 -0.100127 -1.095336
C -3.103424 -0.103190 1.284766
C -3.331111 0.283173 -0.060898
C 5.316547 2.247306 -0.590292
C -5.483205 1.562477 0.274680
C -6.430708 2.350072 -0.602682
H 1.714876 -3.218311 -0.150699
H 0.025542 -2.905066 1.518247
H 1.047727 -2.432748 -2.481495
H -0.247363 -3.307003 -1.586338
H 3.225220 -1.061005 -2.135262
H 2.741053 0.994149 2.518434
H -1.742788 -1.153038 2.597701
H -2.655666 0.194781 -2.128301
H -3.790714 0.191232 2.076573
H 6.410756 2.323247 -0.508368
H 4.848119 3.148566 -1.032147
H -5.892816 3.178291 -1.095378
H -7.252430 2.748971 0.008889
H -6.836638 1.703252 -1.399668


