%chk=000049092.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049092

0 1
 O    2.387400       1.611700      -1.007300    
 O   -1.956300      -1.962800      0.6744000    
 O   -3.626400      0.2014000      0.1745000    
 C    2.851100     -6.4099997E-02  0.6657000    
 C    3.772500     -0.9441000     -0.1971000    
 C    1.935400      0.7917000     -0.2095000    
 C    3.684900      0.8614000       1.550800    
 C   0.4584000      0.6317000     -0.1055000    
 C    2.995000      -1.901400      -1.091700    
 C  -5.1899999E-02 -0.6008000      0.2392000    
 C  -0.3455000       1.721600     -0.3592000    
 C   -1.435500     -0.7509000      0.3349000    
 C   -2.273800      0.3353000      8.3700001E-02
 C   -1.728800       1.571500     -0.2634000    
 C   -2.254100      -2.862100     -0.3920000    
 C   -4.412200       1.360100     -9.7800002E-02
 H    2.276400     -0.7014000       1.342700    
 H    4.411100     -0.3158000     -0.8303000    
 H    4.438700      -1.525300      0.4516000    
 H    4.327900       1.518300      0.9546000    
 H    4.324300      0.2834000       2.226300    
 H    3.037600       1.500500       2.161400    
 H    3.693300      -2.508600      -1.677400    
 H    2.349800      -1.371400      -1.798200    
 H    2.383100      -2.586400     -0.4974000    
 H   0.5672000      -1.471000      0.4198000    
 H   6.6200003E-02   2.690600     -0.6251000    
 H   -2.317900       2.458100     -0.4710000    
 H   -2.996200      -2.426100      -1.068200    
 H   -2.668200      -3.778200      3.7999999E-02
 H   -1.343900      -3.115100     -0.9451000    
 H   -5.462100       1.072400      2.0500001E-02
 H   -4.289800       1.696600      -1.132900    
 H   -4.218200       2.158700      0.6262000    


%chk=000049092-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049092

0 1
O 2.510236 1.590686 -0.981129
O -2.019881 -1.747269 1.332982
O -3.702323 0.229672 0.173967
C 2.935191 -0.412696 0.346472
C 4.307443 -0.515076 -0.362841
C 2.012988 0.610204 -0.345094
C 3.101767 0.017146 1.835631
C 0.523432 0.478158 -0.215409
C 4.226642 -1.149413 -1.767823
C -0.108414 -0.600357 0.460797
C -0.295582 1.479579 -0.799464
C -1.509025 -0.684801 0.568161
C -2.319553 0.344856 -0.009470
C -1.696071 1.414650 -0.701325
C -3.087220 -2.580066 0.738787
C -4.555572 1.302526 -0.351759
H 2.455219 -1.410951 0.326063
H 4.736513 0.501175 -0.442020
H 4.985622 -1.111742 0.279422
H 3.597461 1.003227 1.893277
H 3.730701 -0.716813 2.371563
H 2.131930 0.088482 2.359575
H 5.230899 -1.234601 -2.221772
H 3.606406 -0.532591 -2.442124
H 3.787880 -2.165089 -1.726643
H 0.465609 -1.405195 0.929128
H 0.195943 2.305259 -1.323528
H -2.302639 2.206228 -1.151646
H -4.001694 -1.989705 0.567934
H -3.269352 -3.372664 1.480260
H -2.741131 -3.028770 -0.212624
H -5.578572 1.015660 -0.068498
H -4.477166 1.374384 -1.453235
H -4.298184 2.275406 0.107582


