%chk=000093896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093896

0 1
 O    2.686400      0.5785000     -0.1943000    
 O    3.354500       2.231900       1.272300    
 C   -1.627400       2.161200     -9.4099998E-02
 C   -2.542500      0.9330000     -9.9299997E-02
 C  -0.1660000       1.832400     -0.4093000    
 C   -4.008100       1.264700      0.1906000    
 C   0.6992000       3.097200     -0.4028000    
 C   -4.862000     -2.7999999E-03  0.2451000    
 C    2.158200       2.807400     -0.7436000    
 C   -6.312600      0.3163000      0.5707000    
 C    2.805900       1.865300      0.2409000    
 C    3.267000     -0.4154000      0.6560000    
 C    3.059500      -1.798500      4.8700001E-02
 C    1.598400      -2.152000     -8.7700002E-02
 C   0.9379000      -2.802500      0.9547000    
 C   0.9083000      -1.828000      -1.256000    
 C  -0.4123000      -3.129000      0.8288000    
 C  -0.4420000      -2.154500      -1.381600    
 C   -1.102300      -2.805100     -0.3392000    
 H   -2.000500       2.885800     -0.8286000    
 H   -1.686000       2.647000      0.8878000    
 H   -2.472700      0.4366000      -1.075000    
 H   -2.177800      0.2176000      0.6482000    
 H   0.1941000       1.117900      0.3389000    
 H  -0.1013000       1.345700      -1.389500    
 H   -4.392500       1.939500     -0.5836000    
 H   -4.078900       1.796100       1.147400    
 H   0.6436000       3.567000      0.5870000    
 H   0.3030000       3.819600      -1.126100    
 H   -4.466700     -0.6867000       1.005300    
 H   -4.814000     -0.5253000     -0.7174000    
 H    2.737400       3.738100     -0.7454000    
 H    2.249000       2.392500      -1.754500    
 H   -6.904900     -0.6035000      0.6030000    
 H   -6.396900      0.8090000       1.544600    
 H   -6.748700      0.9750000     -0.1870000    
 H    2.801500     -0.3595000       1.647500    
 H    4.341300     -0.2209000      0.7539000    
 H    3.566800      -2.553700      0.6611000    
 H    3.526200      -1.840300     -0.9437000    
 H    1.464200      -3.058000       1.870500    
 H    1.410000      -1.319800      -2.075100    
 H  -0.9271000      -3.634100       1.640900    
 H  -0.9801000      -1.899800      -2.290000    
 H   -2.154400      -3.056700     -0.4363000    


%chk=000093896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093896

0 1
O 3.325748 0.525207 -0.379747
O 2.386006 1.434966 1.559705
C -1.934379 2.253666 -0.060943
C -2.989699 1.147872 -0.291489
C -0.506480 1.821164 -0.460432
C -4.417679 1.569174 0.122207
C 0.543645 2.932588 -0.238919
C -5.474705 0.465013 -0.109440
C 1.976079 2.501640 -0.632695
C -6.898449 0.897105 0.303949
C 2.548362 1.462330 0.319158
C 3.977387 -0.561492 0.406721
C 3.642751 -1.916560 -0.249002
C 2.185640 -2.324093 -0.085399
C 1.780990 -3.142218 1.000975
C 1.197293 -1.867915 -0.995259
C 0.423926 -3.494943 1.177244
C -0.161327 -2.216326 -0.821495
C -0.552901 -3.031938 0.265387
H -2.221603 3.160531 -0.634189
H -1.939521 2.546640 1.009505
H -2.989773 0.859510 -1.364264
H -2.694852 0.239614 0.275034
H -0.223048 0.922418 0.123244
H -0.500573 1.517361 -1.529102
H -4.710810 2.479158 -0.442629
H -4.418962 1.856227 1.194646
H 0.544095 3.234297 0.826008
H 0.267253 3.827159 -0.831546
H -5.182468 -0.442626 0.457543
H -5.471101 0.176740 -1.180779
H 2.653525 3.378887 -0.596691
H 2.013764 2.106608 -1.662771
H -7.635497 0.091998 0.127342
H -6.936019 1.160501 1.377985
H -7.223801 1.785691 -0.269589
H 3.625172 -0.503879 1.451553
H 5.062949 -0.361206 0.364208
H 4.305496 -2.672793 0.215610
H 3.915687 -1.859269 -1.319220
H 2.533553 -3.506604 1.711918
H 1.497785 -1.234344 -1.837944
H 0.129865 -4.130158 2.020590
H -0.913004 -1.852968 -1.531967
H -1.605618 -3.305533 0.398784


