%chk=000051795.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051795

0 1
 O    2.293700      -1.526800     -8.2400002E-02
 O    1.344100       2.950000      0.1137000    
 O   -4.743200       1.521600      0.2472000    
 C  -4.9500000E-02  -1.281500     -5.0000002E-04
 C    1.247400     -0.6624000     -1.8200001E-02
 C    1.691700      0.6390000      1.6600000E-02
 C    3.109500      0.5793000     -2.9200001E-02
 C  -0.7264000      -1.541200      -1.198300    
 C  -0.6503000      -1.631900       1.214800    
 C    3.429300     -0.7733000     -8.9299999E-02
 C   -2.576500      -2.487700      3.3700000E-02
 C   -1.985200      -2.142100      -1.181200    
 C   -1.909300      -2.232500       1.231700    
 C   0.8526000       1.801200      8.6000003E-02
 C    4.156700       1.517300     -2.6600000E-02
 C  -0.1271000      -1.186100      -2.521800    
 C   3.1900000E-02  -1.374900       2.520700    
 C    4.731400      -1.266800     -0.1475000    
 C  -0.6495000       1.726700      0.1294000    
 C    5.477300       1.051200     -8.4399998E-02
 C   -3.922300      -3.130200      5.2499998E-02
 C    5.756800     -0.3165000     -0.1438000    
 C   -1.258700       1.649400       1.354500    
 C   -1.332700       1.739800      -1.058600    
 C   -2.651200       1.580000       1.394600    
 C   -2.725300       1.670500      -1.018700    
 C   -3.384600       1.590600      0.2080000    
 C   -5.430600       1.537100      -1.003000    
 H   -2.509800      -2.342100      -2.112600    
 H   -2.374600      -2.502900       2.176700    
 H    3.964700       2.584800      1.8900000E-02
 H   0.6241000      -1.932500      -2.801000    
 H  -0.8868000      -1.164200      -3.311400    
 H   0.3430000     -0.1996000      -2.520400    
 H   0.4995000     -0.3881000       2.564500    
 H  -0.6756000      -1.418000       3.356400    
 H   0.8005000      -2.135500       2.693800    
 H    4.940100      -2.328900     -0.1933000    
 H    6.296300       1.766000     -8.3099999E-02
 H   -4.036300      -3.786400      0.9220000    
 H   -4.702800      -2.363400      8.7200001E-02
 H   -4.076800      -3.748900     -0.8379000    
 H    6.791100     -0.6488000     -0.1879000    
 H  -0.6928000       1.657700       2.280100    
 H  -0.8233000       1.818600      -2.013300    
 H   -3.159000       1.519900       2.353200    
 H   -3.232300       1.685200      -1.977400    
 H   -6.501600       1.475300     -0.7839000    
 H   -5.177700      0.6619000      -1.611300    
 H   -5.267600       2.477500      -1.540300    


%chk=000051795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051795

0 1
O 2.284752 -1.527505 -0.654880
O 1.415887 2.255965 1.874144
O -4.681384 2.753519 -0.000340
C -0.088128 -1.583001 -0.063938
C 1.173898 -0.816758 -0.104815
C 1.586502 0.446683 0.336044
C 3.027189 0.537628 0.086608
C -0.631885 -2.104275 -1.282004
C -0.746768 -1.835377 1.180735
C 3.407322 -0.677489 -0.542001
C -2.517115 -3.086252 -0.018091
C -1.837246 -2.839675 -1.235513
C -1.948290 -2.582781 1.174822
C 0.815610 1.523410 1.015765
C 4.015209 1.526500 0.317249
C 0.049219 -1.874606 -2.621186
C -0.194802 -1.347523 2.509206
C 4.708857 -0.973179 -0.969237
C -0.621685 1.777100 0.695746
C 5.335089 1.256561 -0.103274
C -3.824306 -3.858151 0.006694
C 5.679577 0.028152 -0.737190
C -1.408451 2.489779 1.647881
C -1.218729 1.410352 -0.536069
C -2.751050 2.792016 1.392304
C -2.564516 1.721205 -0.816984
C -3.337373 2.404347 0.156466
C -5.343219 2.383610 -1.256126
H -2.254158 -3.231540 -2.171907
H -2.446953 -2.782488 2.131794
H 3.753606 2.457775 0.825513
H 0.965752 -2.484385 -2.711008
H -0.623765 -2.137958 -3.454876
H 0.363494 -0.821459 -2.750600
H -0.517077 -0.310464 2.720955
H -0.561265 -1.979571 3.336317
H 0.908083 -1.352980 2.531245
H 4.955856 -1.924233 -1.448910
H 6.117165 2.004265 0.067903
H -3.894332 -4.505889 0.898707
H -4.691325 -3.169504 0.036118
H -3.937620 -4.494139 -0.888432
H 6.715615 -0.147414 -1.046389
H -0.932166 2.801502 2.583216
H -0.621024 0.899752 -1.296692
H -3.368930 3.326726 2.119739
H -2.993707 1.433155 -1.780804
H -6.377098 2.742643 -1.150767
H -5.339883 1.286366 -1.401856
H -4.862131 2.876986 -2.122380


