%chk=000138978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138978

0 1
 O    3.988100     -0.6648000      0.6800000    
 O   0.7875000     -0.1729000     -0.2643000    
 C    3.174200     -0.2086000     -0.3907000    
 C    4.534300      0.3466000     -0.1762000    
 C    1.956100      0.5657000      6.5899998E-02
 C   -1.602200     -0.3244000     -0.2585000    
 C  -0.3920000      0.5073000      0.1419000    
 C   -2.909600      0.3428000      0.1631000    
 C   -4.117300     -0.5185000     -0.2048000    
 C   -5.419000      0.1267000      0.2437000    
 H    3.010600     -0.8480000      -1.246700    
 H    5.322700      5.0900001E-02 -0.8561000    
 H    4.635700       1.344700      0.2296000    
 H    1.934400       1.528400     -0.4576000    
 H    1.991500      0.7491000       1.146300    
 H   -1.590900     -0.4863000      -1.343600    
 H   -1.521300      -1.320600      0.1942000    
 H  -0.3761000      0.6494000       1.228800    
 H  -0.4356000       1.489900     -0.3425000    
 H   -2.995300       1.323900     -0.3196000    
 H   -2.900100      0.5156000       1.246200    
 H   -4.146600     -0.6745000      -1.289400    
 H   -4.027600      -1.505900      0.2629000    
 H   -5.434900      0.2651000       1.329400    
 H   -5.555600       1.104300     -0.2296000    
 H   -6.269500     -0.5053000     -3.0600000E-02


%chk=000138978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138978

0 1
O 3.841044 -0.982799 0.589502
O 0.816024 -0.069228 -0.362310
C 3.211262 -0.136440 -0.495403
C 4.586941 0.188279 -0.000142
C 2.026609 0.708997 -0.096791
C -1.597430 -0.271662 -0.265201
C -0.404143 0.627220 0.068993
C -2.944929 0.340053 0.181066
C -4.153264 -0.561681 -0.160616
C -5.499866 0.038995 0.296226
H 3.099148 -0.667514 -1.449135
H 5.457025 -0.071574 -0.614960
H 4.726401 1.034535 0.686088
H 2.010975 1.651919 -0.693226
H 2.102809 0.976567 0.980193
H -1.608196 -0.458274 -1.356612
H -1.445727 -1.252817 0.224727
H -0.356004 0.826914 1.163781
H -0.488229 1.607499 -0.455332
H -3.084812 1.331582 -0.299012
H -2.927000 0.523000 1.276000
H -4.176767 -0.738887 -1.255017
H -4.009627 -1.554554 0.311798
H -5.512393 0.197189 1.391277
H -5.682175 1.018362 -0.185609
H -6.346176 -0.625080 0.041516


