%chk=000021532.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021532

0 1
 O    1.374600     -0.6522000     -0.7518000    
 O    2.299200       1.135300      0.4609000    
 C    1.178700      0.7078000     -0.3306000    
 C    2.750200     -0.9262000     -0.4630000    
 C    3.012300     -6.9899999E-02  0.7601000    
 C  -8.9100003E-02  0.7776000      0.5110000    
 C   -1.307000      0.2964000     -0.2753000    
 C    1.079600       1.605900      -1.557000    
 C   -2.572800      0.3373000      0.5840000    
 C    2.950200      -2.411600     -0.2398000    
 C    4.475700      0.2375000       1.005300    
 C   -3.785900     -0.1808000     -0.1918000    
 C   -5.075900     -0.1836000      0.6311000    
 C   -6.289600     -0.6734000     -0.1433000    
 H    3.340300     -0.5894000      -1.324400    
 H    2.560600     -0.5047000       1.660400    
 H  -0.2451000       1.799400      0.8790000    
 H   3.1300001E-02  0.1486000       1.402800    
 H   -1.474600      0.9271000      -1.154700    
 H   -1.150300     -0.7283000     -0.6321000    
 H   0.3723000       1.226700      -2.300400    
 H   0.8108000       2.631300      -1.282200    
 H    2.052600       1.661700      -2.060200    
 H   -2.761100       1.364800      0.9176000    
 H   -2.428200     -0.2741000       1.483000    
 H    3.992300      -2.644300     -3.3000000E-03
 H    2.313900      -2.776200      0.5740000    
 H    2.661300      -2.971800      -1.135500    
 H    4.923800      0.7354000      0.1385000    
 H    4.582000      0.9269000       1.849700    
 H    5.044800     -0.6709000       1.222600    
 H   -3.584700      -1.201000     -0.5418000    
 H   -3.933000      0.4371000      -1.086400    
 H   -4.940600     -0.8172000       1.515700    
 H   -5.276000      0.8313000      0.9950000    
 H   -7.180000     -0.6544000      0.4927000    
 H   -6.141100      -1.700200     -0.4923000    
 H   -6.478700     -3.8500000E-02  -1.014600    


%chk=000021532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021532

0 1
O 1.458798 -0.637514 -0.844617
O 2.350431 1.176513 0.408938
C 1.197369 0.778136 -0.448638
C 2.848606 -0.970453 -0.438989
C 3.066561 -0.065232 0.795069
C -0.098640 0.806861 0.382281
C -1.356167 0.318061 -0.369886
C 1.207791 1.690269 -1.677440
C -2.597427 0.244028 0.547664
C 2.933985 -2.474180 -0.190074
C 4.515730 0.291878 1.114069
C -3.881583 -0.177819 -0.201238
C -5.125191 -0.260161 0.713158
C -6.407166 -0.662385 -0.048037
H 3.550657 -0.660698 -1.244084
H 2.566242 -0.523698 1.676364
H -0.250491 1.843715 0.741675
H 0.067059 0.174084 1.275985
H -1.577888 0.997667 -1.217693
H -1.151180 -0.679730 -0.804046
H 0.403141 1.408008 -2.376422
H 1.066332 2.742117 -1.372688
H 2.175510 1.602790 -2.198765
H -2.762106 1.232512 1.026541
H -2.401488 -0.472124 1.373083
H 3.959948 -2.760051 0.106286
H 2.233873 -2.775131 0.609177
H 2.672297 -3.032308 -1.105138
H 5.003701 0.748506 0.234948
H 4.560890 1.014085 1.946892
H 5.081674 -0.610636 1.409319
H -3.717986 -1.162898 -0.686272
H -4.079801 0.542796 -1.022418
H -4.931849 -0.989413 1.526423
H -5.279417 0.721286 1.206752
H -7.280098 -0.721128 0.628091
H -6.286715 -1.650265 -0.531794
H -6.642605 0.071913 -0.841574


