%chk=000076863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076863

0 1
 O   -9.446100      0.9870000      2.8700000E-02
 O   -8.599100      -1.085900     -0.3740000    
 C  -0.8468000     -0.6189000      3.5300002E-02
 C   -2.021600      0.3467000      0.2139000    
 C   0.5220000      5.7599999E-02  0.1562000    
 C   -3.361000     -0.3783000      5.5799998E-02
 C    1.696100     -0.9129000      4.4000000E-03
 C   -4.573300      0.5473000      0.1983000    
 C    3.036700     -0.1723000      6.2500000E-02
 C   -5.910800     -0.1642000     -3.4000002E-02
 C    4.242700      -1.100900     -0.1201000    
 C   -7.105600      0.7780000      0.1207000    
 C    5.571200     -0.3885000     -7.9300001E-02
 C    6.132600      0.1080000      -1.255800    
 C    6.238400     -0.2256000       1.134700    
 C   -8.432600      9.2299998E-02 -9.6699998E-02
 C    7.361400      0.7671000      -1.218300    
 C    7.467200      0.4336000       1.172200    
 C    8.028600      0.9300000     -4.4000000E-03
 H  -0.9189000      -1.416600      0.7850000    
 H  -0.9198000      -1.100900     -0.9476000    
 H   -1.969300      0.8124000       1.205100    
 H   -1.950100       1.151700     -0.5272000    
 H   0.5914000      0.5575000       1.130300    
 H   0.5978000      0.8414000     -0.6077000    
 H   -3.394700     -0.8593000     -0.9298000    
 H   -3.432100      -1.179500      0.8017000    
 H    1.612700      -1.441800     -0.9526000    
 H    1.655800      -1.668500      0.7979000    
 H   -4.568100      0.9928000       1.200700    
 H   -4.479900       1.374100     -0.5167000    
 H    3.056400      0.6027000     -0.7145000    
 H    3.120700      0.3502000       1.024000    
 H   -5.920700     -0.6055000      -1.038500    
 H   -6.008000     -0.9973000      0.6733000    
 H    4.227900      -1.878900      0.6544000    
 H    4.152700      -1.637500      -1.073600    
 H   -7.022300       1.593700     -0.6066000    
 H   -7.107100       1.203600       1.130600    
 H    5.621300     -1.0900000E-02  -2.207500    
 H    5.810200     -0.6061000       2.058200    
 H    7.798300       1.154100      -2.134200    
 H    7.986600      0.5612000       2.117500    
 H    8.985100       1.443600      2.4900001E-02
 H   -10.32180      0.5710000     -0.1215000    


%chk=000076863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076863

0 1
O -9.559538 1.052204 0.175004
O -8.738467 -1.104779 -0.070531
C -0.843681 -0.652025 -0.041865
C -2.047263 0.310963 0.068752
C 0.522851 0.065316 0.036239
C -3.413127 -0.407773 -0.003677
C 1.725883 -0.897501 -0.082971
C -4.616601 0.555714 0.102235
C 3.090175 -0.178875 0.003723
C -5.976815 -0.171879 0.029858
C 4.295605 -1.151618 -0.130274
C -7.163935 0.803968 0.135350
C 5.635619 -0.435910 -0.045460
C 6.211172 0.165184 -1.195619
C 6.320214 -0.311028 1.191287
C -8.513502 0.117460 0.065300
C 7.431571 0.872575 -1.113922
C 7.541455 0.395431 1.279592
C 8.101788 0.991570 0.126165
H -0.906117 -1.410566 0.766345
H -0.909710 -1.211749 -0.998431
H -1.978819 0.873747 1.023418
H -1.986547 1.066771 -0.742254
H 0.591597 0.620114 0.995331
H 0.583593 0.827895 -0.768191
H -3.479964 -0.973197 -0.956558
H -3.474745 -1.161254 0.809011
H 1.660875 -1.447759 -1.045377
H 1.662809 -1.664502 0.717451
H -4.547595 1.121457 1.055292
H -4.553487 1.308280 -0.711804
H 3.158063 0.591812 -0.790677
H 3.168339 0.362086 0.968463
H -6.050594 -0.738487 -0.918193
H -6.045435 -0.923237 0.839807
H 4.221662 -1.917466 0.666830
H 4.209071 -1.685968 -1.097423
H -7.128538 1.562548 -0.671510
H -7.125668 1.378365 1.082091
H 5.699983 0.072311 -2.162499
H 5.893761 -0.775153 2.089752
H 7.861805 1.326299 -2.014341
H 8.056862 0.477106 2.243639
H 9.049846 1.537354 0.191586
H -10.430351 0.571495 0.124751


