%chk=000086115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086115

0 1
 O   -2.668400      0.4856000      0.3603000    
 O   -4.231000     -0.8113000     -0.7413000    
 C   0.9867000     -0.4462000     -0.2154000    
 C    1.284500       1.697900     -0.7926000    
 C    2.253400     -2.5000000E-02  0.5964000    
 C    1.236000      0.3471000      -1.509900    
 C  -0.2907000      0.2535000      0.3444000    
 C    2.370600       1.490900      0.2902000    
 C  -9.0999998E-02   1.720100     -0.1014000    
 C   0.8847000      -1.948100     -0.4183000    
 C   -1.618700     -0.3004000     -0.1711000    
 C    2.234300     -0.3316000       2.088700    
 C    3.763600       1.868200     -0.2055000    
 C    2.161900      -2.499900      -1.054600    
 C   0.6024000      -2.659100      0.9067000    
 C   -3.937800      0.1215000     -5.5999998E-03
 C   -4.940500       1.036800      0.6291000    
 H    1.452200       2.563500      -1.437500    
 H    3.153200     -0.5017000      0.1927000    
 H   0.4195000      0.2748000      -2.236000    
 H    2.179300      0.1245000      -2.016700    
 H  -0.3391000      0.2312000       1.436500    
 H    2.149100       2.099700       1.175600    
 H  -0.1170000       2.411000      0.7480000    
 H  -0.8585000       2.039800     -0.8162000    
 H   6.1099999E-02  -2.163100      -1.110400    
 H   -1.760000      -1.335100      0.1568000    
 H   -1.659300     -0.2704000      -1.266100    
 H    3.046100      0.2187000       2.580600    
 H    1.313900     -3.4499999E-02   2.592900    
 H    2.431300      -1.382000       2.301000    
 H    4.514000       1.663000      0.5651000    
 H    4.044500       1.313800      -1.106700    
 H    3.808000       2.936200     -0.4432000    
 H    3.028700      -2.470800     -0.3887000    
 H    2.008800      -3.559100      -1.297100    
 H    2.416700      -2.008200      -1.996400    
 H    1.515200      -2.963500       1.424400    
 H   7.0400000E-02  -3.595300      0.6949000    
 H  -3.0300001E-02  -2.093300       1.594100    
 H   -4.766900       2.063200      0.2963000    
 H   -4.868200      0.9672000       1.717300    
 H   -5.948000      0.7376000      0.3264000    


%chk=000086115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086115

0 1
O -2.689116 0.472902 0.400386
O -4.226351 -0.757418 -0.847566
C 1.027173 -0.469642 -0.196446
C 1.287516 1.744534 -0.800509
C 2.258556 0.030373 0.668466
C 1.275188 0.363017 -1.501111
C -0.276366 0.236831 0.360403
C 2.405058 1.556855 0.270787
C -0.088667 1.737550 -0.080682
C 0.899111 -2.008751 -0.423736
C -1.582407 -0.349797 -0.186270
C 2.231524 -0.161870 2.199790
C 3.818802 1.918640 -0.228807
C 2.119100 -2.629532 -1.151426
C 0.601265 -2.825188 0.862665
C -3.982074 0.152476 -0.022372
C -4.997012 1.051208 0.653567
H 1.444430 2.621308 -1.452418
H 3.150421 -0.503549 0.280881
H 0.466110 0.255026 -2.247788
H 2.234329 0.117821 -1.989681
H -0.321694 0.153871 1.461403
H 2.178284 2.189037 1.154023
H -0.122017 2.434663 0.775615
H -0.897675 2.034867 -0.773747
H 0.031814 -2.145225 -1.105711
H -1.754245 -1.398315 0.113401
H -1.653458 -0.286842 -1.288323
H 3.148125 0.274051 2.642768
H 1.372367 0.353590 2.667951
H 2.193674 -1.223001 2.499486
H 4.586455 1.652501 0.523176
H 4.067410 1.378857 -1.162445
H 3.909310 3.002646 -0.432077
H 3.040619 -2.545237 -0.545699
H 1.943250 -3.706648 -1.333598
H 2.306102 -2.152496 -2.129818
H 1.511006 -2.946359 1.477500
H 0.247341 -3.839696 0.598285
H -0.171224 -2.352374 1.495772
H -4.776750 2.109689 0.431327
H -4.943082 0.927920 1.749209
H -6.007498 0.798909 0.301066


