%chk=000055994.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055994

0 1
 O    3.327400      -2.990100      2.4700001E-02
 O   -3.473500     -0.3431000      -1.337700    
 C    2.872200      0.4706000      0.6675000    
 C    3.470100      0.4753000     -0.7438000    
 C    1.394700      0.8058000      0.4266000    
 C    2.661300       1.511300      -1.529600    
 C    1.478400       1.899700     -0.6385000    
 C    3.143900     -0.9153000       1.237300    
 C    3.297300     -0.9546000      -1.265500    
 C   0.6659000       1.261800       1.681300    
 C    3.264500      -1.766900      1.5000000E-03
 C  -0.7832000       1.683200       1.427500    
 C   -1.642200      0.5701000      0.8200000    
 C   -3.088000       1.040100      0.6159000    
 C   -4.000400      5.5999998E-03 -5.9700001E-02
 C   -4.181500      -1.269500      0.7696000    
 C   -5.078200      -2.284000      6.9700003E-02
 C   -3.328600      0.8000000      -2.166900    
 H    3.335900       1.244500       1.292200    
 H    4.535600      0.7331000     -0.7202000    
 H   0.8946000     -7.3600002E-02  3.4000000E-03
 H    3.269400       2.398000      -1.741700    
 H    2.319600       1.119800      -2.493800    
 H   0.5549000       1.984000      -1.220300    
 H    1.673900       2.878000     -0.1823000    
 H    4.103000     -0.9398000       1.763300    
 H    2.342400      -1.275700       1.885500    
 H    2.354500      -1.102800      -1.800400    
 H    4.140200      -1.252800      -1.893900    
 H    1.196700       2.105700       2.139800    
 H   0.6755000      0.4538000       2.423000    
 H  -0.8068000       2.566100      0.7778000    
 H   -1.222700       1.993700       2.383700    
 H   -1.229100      0.2559000     -0.1423000    
 H   -1.616100     -0.2984000       1.486700    
 H   -3.515600       1.285100       1.597400    
 H   -3.087800       1.983500      5.8200002E-02
 H   -4.992000      0.4554000     -0.2040000    
 H   -4.603800      -1.021600       1.749900    
 H   -3.215500      -1.758100      0.9373000    
 H   -4.639800      -2.624800     -0.8735000    
 H   -5.220900      -3.162000      0.7078000    
 H   -6.063000      -1.855600     -0.1418000    
 H   -2.414900       1.352800      -1.932400    
 H   -4.205600       1.453900      -2.121600    
 H   -3.229700      0.4477000      -3.198400    


%chk=000055994-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055994

0 1
O 3.706271 -3.087706 0.226258
O -3.584349 -0.197429 -1.404168
C 2.958745 0.479533 0.702195
C 3.622695 0.464209 -0.726008
C 1.473890 0.846894 0.420552
C 2.762860 1.432050 -1.604929
C 1.599001 1.923466 -0.689475
C 3.207331 -0.913180 1.317787
C 3.596821 -1.025742 -1.156455
C 0.698963 1.297834 1.678522
C 3.528036 -1.849117 0.138806
C -0.770183 1.718462 1.425557
C -1.669666 0.590500 0.870429
C -3.144783 1.030424 0.738381
C -4.050366 0.025197 -0.015005
C -4.106996 -1.371268 0.631946
C -5.209958 -2.264138 0.028136
C -3.827720 0.928828 -2.300246
H 3.397899 1.282688 1.326074
H 4.673017 0.805456 -0.668299
H 0.972917 -0.047465 -0.010017
H 3.357042 2.278687 -1.993292
H 2.364089 0.893523 -2.484985
H 0.659460 2.072660 -1.251168
H 1.859616 2.894680 -0.221685
H 4.078474 -0.922347 2.002784
H 2.354722 -1.313079 1.897698
H 2.684843 -1.257657 -1.744572
H 4.455384 -1.345152 -1.772661
H 1.244028 2.150535 2.136856
H 0.713293 0.479024 2.429021
H -0.791725 2.579401 0.725923
H -1.202152 2.087057 2.379461
H -1.312103 0.263084 -0.125066
H -1.595835 -0.291986 1.537726
H -3.580233 1.200167 1.744946
H -3.182474 2.011483 0.220724
H -5.084041 0.446598 -0.058860
H -4.265613 -1.248295 1.721959
H -3.122158 -1.857490 0.499606
H -5.063465 -2.361223 -1.061448
H -5.195467 -3.275906 0.472872
H -6.214340 -1.832541 0.202722
H -3.210350 1.816008 -2.046078
H -4.898262 1.228739 -2.293732
H -3.554161 0.580331 -3.309491


