%chk=000017848.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017848

0 1
 O   6.3000000E-03   2.583600     -0.2155000    
 C   -1.345000      0.6800000     -7.1300000E-02
 C    1.225600      0.6284000      0.1863000    
 C  -5.8200002E-02   1.357200     -4.4000000E-02
 C   -2.646400      -1.348800      9.6400000E-02
 C    3.106000     -0.5443000     -0.6864000    
 C   -1.411800     -0.6999000      0.1222000    
 C    1.907200      0.1356000     -0.9021000    
 C   -2.512700       1.410800     -0.2906000    
 C    1.674500      0.4799000       1.478000    
 C   -3.814000     -0.6177000     -0.1227000    
 C    3.588900     -0.7119000      0.6114000    
 C   -3.747100      0.7621000     -0.3164000    
 C    2.873100     -0.2000000       1.693700    
 C   -2.718600      -2.823900      0.3042000    
 C    3.872200      -1.091200      -1.843100    
 H  -0.5210000      -1.297400      0.2935000    
 H    1.525400      0.2724000      -1.910000    
 H   -2.488300       2.486500     -0.4442000    
 H    1.120500      0.8774000       2.322900    
 H   -4.782100      -1.110900     -0.1469000    
 H    4.522600      -1.237900      0.7923000    
 H   -4.656400       1.330900     -0.4875000    
 H    3.249200     -0.3301000       2.704100    
 H   -2.001000      -3.146100       1.066400    
 H   -3.711800      -3.131700      0.6484000    
 H   -2.498800      -3.346300     -0.6321000    
 H    4.433600      -1.987200      -1.557500    
 H    3.201700      -1.380400      -2.659500    
 H    4.576000     -0.3405000      -2.216200    


%chk=000017848-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017848

0 1
O -0.011005 1.771772 -1.764235
C -1.429789 0.416055 -0.375416
C 1.177096 0.233260 -0.349128
C -0.083946 0.859012 -0.879995
C -2.975979 -1.315078 0.478297
C 3.561130 -0.289888 -0.747021
C -1.680905 -0.908672 0.069788
C 2.323459 0.231696 -1.187237
C -2.499789 1.349943 -0.418943
C 1.280382 -0.280856 0.971245
C -4.021180 -0.356748 0.453876
C 3.639117 -0.809834 0.573325
C -3.785418 0.965119 0.005420
C 2.513490 -0.794319 1.427137
C -3.240713 -2.749089 0.905013
C 4.783230 -0.268890 -1.648951
H -0.867261 -1.643272 0.068144
H 2.224487 0.657982 -2.192301
H -2.297992 2.360053 -0.789622
H 0.416864 -0.248343 1.643198
H -5.026776 -0.649231 0.780441
H 4.590048 -1.220855 0.934441
H -4.607257 1.689370 -0.011177
H 2.598775 -1.180869 2.448851
H -2.375860 -3.180070 1.439887
H -4.121413 -2.818377 1.567063
H -3.436717 -3.394357 0.026795
H 5.478023 -1.093270 -1.410544
H 4.502078 -0.352587 -2.713051
H 5.343422 0.678942 -1.531501


