%chk=000080589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080589

0 1
 O   0.8040000      0.7158000     -6.0000003E-04
 O   -4.989600      -1.601200     -6.0000003E-04
 O  -0.3006000       2.735500     -7.9999998E-04
 C    3.168000      0.3777000     -9.9999997E-05
 C    2.064500       1.394400     -3.0000001E-04
 C   -1.530600      0.6930000      1.9999999E-04
 C    3.674500     -8.8600002E-02   1.208000    
 C    3.674700     -8.8799998E-02  -1.207900    
 C   -2.779500       1.314300      1.4000000E-03
 C   -1.444200     -0.6992000     -5.0000002E-04
 C  -0.3189000       1.497600     -8.9999998E-04
 C   -3.855500     -0.8489000      8.9999998E-04
 C   -3.941900      0.5433000      1.8000000E-03
 C   -2.606800      -1.470200     -3.0000001E-04
 C    4.700600      -1.033400       1.208300    
 C    4.700700      -1.033700      -1.207800    
 C    5.213800      -1.505900      3.9999999E-04
 C   -6.233200     -0.9016000     -1.2000001E-03
 H    2.137700       2.035800      0.8867000    
 H    2.138100       2.035800     -0.8873000    
 H    3.280600      0.2711000       2.154600    
 H    3.281100      0.2707000      -2.154600    
 H   -2.868100       2.397600      1.9000000E-03
 H  -0.4941000      -1.225900     -1.7000000E-03
 H   -4.878700       1.090200      2.4999999E-03
 H   -2.533800      -2.554400     -1.4000000E-03
 H    5.099600      -1.401700       2.148900    
 H    5.099900      -1.402200      -2.148200    
 H    6.012500      -2.241800      5.0000002E-04
 H   -6.358100     -0.3036000     -0.9103000    
 H   -6.359700     -0.3052000      0.9087000    
 H   -7.027900      -1.654900     -2.6000000E-03


%chk=000080589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080589

0 1
O 0.846585 0.676735 0.000224
O -5.106226 -1.608086 -0.000605
O -0.250138 2.737448 0.000420
C 3.259813 0.410949 0.000225
C 2.147400 1.429236 0.000394
C -1.548476 0.668751 0.000040
C 3.789111 -0.076981 1.221664
C 3.788954 -0.076743 -1.221378
C -2.793575 1.345656 0.000070
C -1.530020 -0.754551 -0.000208
C -0.304907 1.479653 0.000261
C -3.973321 -0.789525 -0.000372
C -4.006345 0.630093 -0.000133
C -2.730942 -1.478420 -0.000416
C 4.824361 -1.038044 1.223719
C 4.824201 -1.037808 -1.223753
C 5.344163 -1.520813 -0.000097
C -6.422481 -0.959471 -0.000666
H 2.163071 2.076773 0.895198
H 2.163105 2.077114 -0.894163
H 3.385762 0.295568 2.171073
H 3.385484 0.295993 -2.170662
H -2.791539 2.440829 0.000252
H -0.568101 -1.274223 -0.000233
H -4.954817 1.174787 -0.000109
H -2.740496 -2.572273 -0.000614
H 5.226205 -1.407259 2.173801
H 5.225922 -1.406839 -2.173959
H 6.149327 -2.264154 -0.000221
H -6.562613 -0.338236 -0.905884
H -6.562846 -0.338556 0.904736
H -7.147520 -1.786002 -0.000905


