%chk=000022616.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022616

0 1
 O   1.9500000E-02  0.9766000       1.225000    
 O    6.483100     -0.2137000     -0.3264000    
 O   -6.006800      -1.067100      5.9999999E-02
 O   -6.749600      0.9598000      0.8576000    
 C  -0.6433000      0.6986000     -9.7000003E-03
 C   0.8823000      0.8175000      9.1600001E-02
 C   -1.373800     -0.6363000     -6.0800001E-02
 C    1.715100     -0.4515000     -2.0400001E-02
 C    3.039300     -0.3475000      0.8236000    
 C   -1.472200       1.762600     -0.6427000    
 C    1.607900       2.091000     -0.2529000    
 C   -2.531200     -0.3761000      -1.105300    
 C  -0.4121000      -1.720300     -0.5856000    
 C   0.9070000      -1.744900      0.1942000    
 C    3.807000      0.9623000      0.4295000    
 C   -2.179600      0.9797000      -1.749100    
 C    2.913000       2.213000      0.5321000    
 C   -1.922600      -1.037000       1.326600    
 C    3.982600      -1.563500      0.5938000    
 C    2.730500     -0.3256000       2.342700    
 C    4.449600      0.8829000     -0.9757000    
 C   -3.927600     -0.3331000     -0.5559000    
 C    4.584000      -1.629800     -0.8089000    
 C    5.332500     -0.3480000      -1.158400    
 C   -4.787700      -1.533600     -0.5278000    
 C   -4.557600      0.7221000     -4.6799999E-02
 C   -5.889300      0.2615000      0.3496000    
 H    2.006700     -0.4870000      -1.078900    
 H  -0.8963000       2.579800      -1.083500    
 H   -2.159600       2.195800      8.6599998E-02
 H   0.9984000       2.973200     -2.5800001E-02
 H    1.803000       2.114500      -1.330700    
 H   -2.519900      -1.137400      -1.896500    
 H  -0.1853000      -1.547000      -1.646100    
 H  -0.8914000      -2.705200     -0.5261000    
 H   0.7162000      -1.924300       1.254800    
 H    1.487500      -2.602700     -0.1638000    
 H    4.630800       1.102300       1.144200    
 H   -3.027700       1.526600      -2.173600    
 H   -1.470800      0.8050000      -2.570300    
 H    3.461900       3.097500      0.1865000    
 H    2.677100       2.399800       1.586800    
 H   -2.573200     -0.2646000       1.749900    
 H   -2.471300      -1.982500       1.284400    
 H   -1.122200      -1.172200       2.061200    
 H    3.467000      -2.505600      0.8108000    
 H    4.810300      -1.516200       1.315500    
 H    3.679600      0.8781000      -1.754600    
 H    5.050900       1.787300      -1.134700    
 H    2.293300      -1.271400       2.678600    
 H    3.648500     -0.1763000       2.923700    
 H    2.043400      0.4745000       2.626700    
 H    5.276900      -2.479100     -0.8465000    
 H    3.799400      -1.821000      -1.548800    
 H    5.685900     -0.4044000      -2.194000    
 H   -5.002200      -1.910400      -1.532300    
 H   -4.383400      -2.339700      8.8699996E-02
 H   -4.232000       1.738100      7.6300003E-02
 H    6.950900      0.5941000     -0.5989000    


%chk=000022616-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022616

0 1
O 0.275159 1.331678 1.550775
O 6.369245 -0.897716 -0.689157
O -5.205778 -2.354171 -1.406195
O -7.159850 -1.454384 -0.465813
C -0.515337 1.127271 0.278226
C 0.987905 1.007329 0.232871
C -1.450183 -0.118084 0.268332
C 1.655523 -0.374401 0.156063
C 3.077361 -0.370538 0.839254
C -1.269246 2.340035 -0.299129
C 1.830309 2.157704 -0.303830
C -2.494719 0.299876 -0.853308
C -0.664809 -1.410236 -0.079858
C 0.699325 -1.487488 0.646568
C 3.947500 0.787725 0.221796
C -2.693917 1.821438 -0.622818
C 3.240428 2.161748 0.336994
C -2.134693 -0.258537 1.651871
C 3.832296 -1.718404 0.614400
C 2.952747 -0.163358 2.375411
C 4.379661 0.507363 -1.243348
C -3.758477 -0.512921 -0.902736
C 4.231255 -1.999195 -0.849675
C 5.081944 -0.854352 -1.423483
C -3.812763 -1.887761 -1.552975
C -5.007869 -0.214834 -0.440882
C -5.951159 -1.325437 -0.720509
H 1.812718 -0.552709 -0.932379
H -0.770715 2.700637 -1.218792
H -1.269879 3.176458 0.420450
H 1.324365 3.118342 -0.102383
H 1.909598 2.058117 -1.406381
H -1.966132 0.167780 -1.824055
H -0.484188 -1.455438 -1.175430
H -1.271178 -2.298114 0.186401
H 0.548911 -1.402505 1.737878
H 1.151739 -2.477675 0.455788
H 4.878805 0.828647 0.824556
H -3.372442 1.993442 0.231956
H -3.140476 2.315302 -1.503168
H 3.862927 2.943609 -0.142025
H 3.142502 2.441628 1.402302
H -2.697771 0.649553 1.930803
H -2.837264 -1.111225 1.658364
H -1.373207 -0.417180 2.432646
H 3.232853 -2.559532 1.011562
H 4.760823 -1.684633 1.216464
H 3.507189 0.533359 -1.926130
H 5.054611 1.322527 -1.580498
H 2.543719 -1.067449 2.863233
H 3.953575 0.018292 2.811245
H 2.293926 0.679217 2.639456
H 4.812783 -2.937425 -0.911138
H 3.337035 -2.127467 -1.491919
H 5.276395 -1.031770 -2.504289
H -3.571296 -1.849184 -2.632354
H -3.148579 -2.623986 -1.064903
H -5.337678 0.692236 0.063429
H 6.946874 -0.164005 -1.020034


