%chk=000017029.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017029

0 1
 O   -6.260500      0.7621000      1.0200000E-02
 C    2.184900      -2.032300     -0.5402000    
 C    2.585700      -1.095800      -1.686800    
 C   0.6737000      -2.256400     -0.4381000    
 C   0.3414000       2.077000      0.3481000    
 C    4.079500     -0.7653000      -1.784700    
 C   -1.139100       1.915100      0.6972000    
 C    1.116800       2.738300       1.493700    
 C   -1.974700       1.329500     -0.4459000    
 C   0.2678000      -3.129100      0.7534000    
 C    4.620000     -1.8200001E-02 -0.5599000    
 C    2.613600       2.883200       1.194600    
 C   -3.479900       1.213300     -0.1848000    
 C   -1.239200      -3.374400      0.8379000    
 C    3.935900       1.275300     -0.2050000    
 C    3.268500       1.557900      0.9241000    
 C   -4.268900      0.6824000      -1.377900    
 C   -1.591600      -4.253600       2.027800    
 C   -5.733900      0.4908000      -1.063500    
 H    2.690100      -2.997100     -0.6692000    
 H    2.532100      -1.618200      0.4126000    
 H    2.009100     -0.1659000      -1.617500    
 H    2.282100      -1.563800      -2.632200    
 H   0.1704000      -1.287000     -0.3542000    
 H   0.3166000      -2.719700      -1.365900    
 H   0.7532000       1.087600      0.1254000    
 H   0.4438000       2.684000     -0.5593000    
 H    4.244200     -0.1538000      -2.680500    
 H    4.651200      -1.690600      -1.922500    
 H   -1.554000       2.893200      0.9709000    
 H   -1.238900       1.270800       1.579200    
 H   0.9845000       2.149800       2.410600    
 H   0.6994000       3.732700       1.693300    
 H   -1.584500      0.3359000     -0.6966000    
 H   -1.826700       1.951900      -1.337900    
 H   0.7875000      -4.092800      0.6833000    
 H   0.6098000      -2.651700       1.680100    
 H    4.613700     -0.6902000      0.3068000    
 H    5.677900      0.2101000     -0.7429000    
 H    3.105900       3.344800       2.058500    
 H    2.749200       3.568200      0.3489000    
 H   -3.637400      0.5582000      0.6815000    
 H   -3.872900       2.197800      9.9100001E-02
 H   -1.589300      -3.854900     -8.2900003E-02
 H   -1.766100      -2.417000      0.9255000    
 H    4.002800       2.048700     -0.9684000    
 H    3.196800      0.8013000       1.701200    
 H   -4.194900       1.372900      -2.224400    
 H   -3.872100     -0.2888000      -1.692600    
 H   -1.280800      -3.785500       2.967200    
 H   -2.673000      -4.416600       2.071000    
 H   -1.103600      -5.230600       1.952200    
 H   -6.336400      8.0499999E-02  -1.892400    


%chk=000017029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017029

0 1
O -6.250851 0.448961 0.484264
C 2.197193 -2.022219 -0.476812
C 2.762530 -1.157824 -1.626904
C 0.677318 -2.269284 -0.612210
C 0.346837 2.271075 0.281325
C 4.286924 -0.900295 -1.551680
C -1.127733 2.091743 0.706604
C 1.208107 2.982476 1.348127
C -1.974072 1.339749 -0.345365
C 0.076805 -3.108276 0.537722
C 4.745128 -0.079788 -0.310403
C 2.710068 3.094594 0.961017
C -3.434749 1.108742 0.099287
C -1.453864 -3.295743 0.423368
C 4.075497 1.276763 -0.217190
C 3.396002 1.746145 0.862099
C -4.243887 0.307887 -0.936869
C -2.046712 -4.147591 1.566480
C -5.695088 0.056951 -0.569877
H 2.730436 -2.995902 -0.448275
H 2.394193 -1.527080 0.495469
H 2.232177 -0.183331 -1.636296
H 2.529944 -1.651275 -2.593428
H 0.158393 -1.287810 -0.655650
H 0.470808 -2.771228 -1.581009
H 0.788989 1.277460 0.063288
H 0.392137 2.845115 -0.668230
H 4.603903 -0.359529 -2.467285
H 4.827213 -1.869232 -1.556534
H -1.582455 3.084721 0.905433
H -1.164561 1.536319 1.667215
H 1.124121 2.434106 2.309832
H 0.804309 3.999022 1.531997
H -1.495165 0.360325 -0.559299
H -1.959781 1.905751 -1.300729
H 0.565708 -4.104803 0.561584
H 0.312656 -2.623946 1.508518
H 4.556785 -0.651368 0.618799
H 5.845750 0.052700 -0.378253
H 3.221461 3.712713 1.728957
H 2.808739 3.636033 -0.001026
H -3.453680 0.572051 1.067749
H -3.934880 2.079140 0.283415
H -1.691152 -3.766482 -0.552946
H -1.940877 -2.297508 0.415443
H 4.150033 1.914522 -1.114212
H 3.317501 1.104170 1.756217
H -4.238361 0.813601 -1.928071
H -3.776244 -0.684277 -1.126808
H -1.846054 -3.683844 2.550723
H -3.141774 -4.260985 1.464343
H -1.601339 -5.160398 1.576963
H -6.274683 -0.528816 -1.332777


