%chk=000080178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080178

0 1
 O    2.363600     -0.2476000      0.3507000    
 O   -1.885200      -1.472500       2.124600    
 O   -3.496300      -2.195600     -0.7433000    
 C   -1.670600     -0.8462000     -0.1805000    
 C    1.028700     -0.4469000      0.1743000    
 C   -1.130300      -1.064200       1.065900    
 C    3.112400      0.1781000     -0.7866000    
 C  -0.9171000     -0.4369000      -1.257700    
 C    4.556400      0.3105000     -0.4009000    
 C   -3.133400      -1.061300     -0.3972000    
 C   0.2381000     -0.8616000       1.246100    
 C   0.4511000     -0.2344000      -1.077400    
 C   -4.112500     -1.7000000E-03 -0.2161000    
 C    5.030700       1.524100      8.4399998E-02
 C    5.407000     -0.7816000     -0.5315000    
 C   -3.697700       1.272200      0.1729000    
 C   -5.466400     -0.2585000     -0.4319000    
 C    6.373000       1.647300      0.4433000    
 C    6.749200     -0.6584000     -0.1725000    
 C   -4.636800       2.288800      0.3463000    
 C   -6.405500      0.7583000     -0.2585000    
 C    7.232100      0.5562000      0.3150000    
 C   -5.990500       2.031900      0.1306000    
 H    2.753900       1.151700      -1.146400    
 H    3.039600     -0.5557000      -1.600500    
 H   -1.362900     -0.2709000      -2.233800    
 H   0.6965000      -1.025100       2.218400    
 H    1.001500      9.0000004E-02  -1.953600    
 H    4.370000       2.380000      0.1911000    
 H    5.041500      -1.733100     -0.9075000    
 H   -2.654800       1.515700      0.3518000    
 H   -5.815900      -1.241800     -0.7355000    
 H    6.748900       2.592700      0.8235000    
 H    7.418300      -1.508200     -0.2717000    
 H   -4.314300       3.280700      0.6494000    
 H   -7.459800      0.5587000     -0.4263000    
 H    8.277100      0.6520000      0.5948000    
 H   -6.721700       2.823500      0.2656000    
 H   -1.313500      -1.565400       2.905900    


%chk=000080178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080178

0 1
O 2.438793 -0.031468 0.093161
O -2.068727 -0.457321 1.737339
O -3.483713 -1.395914 -1.972725
C -1.725710 -0.435848 -0.663620
C 1.088146 -0.174157 -0.240073
C -1.183707 -0.349251 0.654568
C 3.424205 -0.015004 -1.026864
C -0.805441 -0.427513 -1.743473
C 4.801649 0.123818 -0.425870
C -3.176651 -0.635399 -0.997370
C 0.203930 -0.216875 0.863844
C 0.581944 -0.285689 -1.562829
C -4.258007 0.099643 -0.261258
C 5.368707 1.405465 -0.215388
C 5.541607 -1.026990 -0.055863
C -4.023430 1.340023 0.386867
C -5.576528 -0.427812 -0.296459
C 6.653258 1.536407 0.357664
C 6.826206 -0.900226 0.517564
C -5.089358 2.040599 0.989606
C -6.637571 0.261593 0.323237
C 7.384880 0.382793 0.724592
C -6.396768 1.500134 0.966666
H 3.185538 0.836476 -1.694386
H 3.325690 -0.959887 -1.596878
H -1.218394 -0.540071 -2.751333
H 0.627663 -0.160664 1.873484
H 1.242016 -0.266079 -2.433199
H 4.800557 2.300613 -0.496129
H 5.107553 -2.021930 -0.212502
H -3.012421 1.760128 0.404787
H -5.743036 -1.374480 -0.821028
H 7.083034 2.531707 0.515413
H 7.390228 -1.796097 0.799500
H -4.903844 3.004796 1.476000
H -7.649598 -0.157666 0.302554
H 8.382738 0.482610 1.166238
H -7.222616 2.041525 1.442433
H -1.578424 -0.447187 2.596928


