%chk=000031328.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031328

0 1
 O   -1.453700      4.1999999E-02   1.475300    
 O   -4.570600       1.209000     -0.4273000    
 O  -0.3562000      -3.328800     -0.8856000    
 O   -3.436200      -1.133300       1.373300    
 O  -0.5968000      -2.302000       1.135100    
 C    1.304100     -0.3535000     -0.2295000    
 C   0.8066000      0.7555000      0.7750000    
 C  -0.7195000      0.8705000      0.5371000    
 C  -0.9810000      0.1481000     -0.7883000    
 C   3.6699999E-02  -1.008800     -0.8132000    
 C    2.201900      0.2634000      -1.324700    
 C    3.432400      0.6873000     -0.5038000    
 C   -2.486200     -9.1200002E-02 -0.6445000    
 C    2.313300      -1.310600      0.4395000    
 C    1.571900       2.081100      0.6005000    
 C    3.079000       1.912600      0.3719000    
 C    3.603400     -0.5344000      0.3908000    
 C   -1.390400       2.223900      0.5856000    
 C   -3.207500       1.285800     -0.8345000    
 C   -2.558800     -0.4822000      0.8301000    
 C  -0.3405000      -2.254900     -5.8800001E-02
 C    4.633800      0.9772000      -1.404000    
 C   -3.050900      -1.160800      -1.569600    
 C   -2.548000       2.412600     -6.9899999E-02
 C    4.713200     -0.9086000       1.039500    
 H   0.9676000      0.4079000       1.804400    
 H  -0.7656000      0.7983000      -1.649000    
 H   0.2017000      -1.297300      -1.859800    
 H    2.467100     -0.4898000      -2.080300    
 H    1.732800       1.097900      -1.857400    
 H    2.033300      -1.572400       1.464800    
 H    2.427500      -2.230500     -0.1470000    
 H    1.167000       2.632100     -0.2587000    
 H    1.411400       2.725300       1.473400    
 H    3.587600       1.852400       1.343000    
 H    3.447300       2.834800     -9.6199997E-02
 H  -0.9679000       3.027200       1.178400    
 H   -3.200100       1.548300      -1.900000    
 H    4.395500       1.763800      -2.128900    
 H    4.935500      8.7899998E-02  -1.969000    
 H    5.499500       1.314400     -0.8234000    
 H   -2.792600     -0.9518000      -2.613000    
 H   -4.143400      -1.204400      -1.497700    
 H   -2.691000      -2.162100      -1.322300    
 H   -3.035200       3.382200     -3.9500002E-02
 H    4.726500      -1.806800       1.647700    
 H    5.626100     -0.3268000      0.9839000    
 H   -4.992000       2.061300     -0.6319000    
 H  -0.6002000      -4.152100     -0.4115000    


%chk=000031328-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031328

0 1
O -1.586208 0.189379 1.521247
O -4.590488 1.171783 -0.631520
O -0.789715 -3.340982 -0.746384
O -3.546614 -1.061894 1.425539
O -0.181137 -2.474351 1.310211
C 1.324610 -0.351825 -0.166935
C 0.774416 0.735698 0.848876
C -0.722876 0.917112 0.484428
C -0.991249 0.085170 -0.802271
C 0.058890 -1.074891 -0.747636
C 2.176441 0.359666 -1.262404
C 3.465419 0.737649 -0.467680
C -2.525950 -0.133978 -0.690376
C 2.391554 -1.298810 0.468812
C 1.582068 2.060682 0.775589
C 3.105914 1.854600 0.596226
C 3.727907 -0.575592 0.292311
C -1.328981 2.299747 0.362232
C -3.171497 1.262991 -1.020164
C -2.678815 -0.408995 0.834255
C -0.313669 -2.302642 0.081505
C 4.628883 1.193260 -1.366173
C -3.184927 -1.221533 -1.551584
C -2.481594 2.438043 -0.341381
C 4.928675 -1.027717 0.724374
H 0.818429 0.318107 1.871182
H -0.746030 0.682659 -1.699036
H 0.250331 -1.443615 -1.770763
H 2.431998 -0.355006 -2.069744
H 1.684376 1.233657 -1.726043
H 2.160390 -1.543508 1.518627
H 2.417511 -2.261396 -0.082156
H 1.211435 2.662414 -0.077313
H 1.392833 2.665537 1.683263
H 3.577474 1.591070 1.560704
H 3.554296 2.816123 0.278217
H -0.873879 3.148154 0.882602
H -3.109390 1.392998 -2.126616
H 4.343830 2.087549 -1.951694
H 4.925421 0.395833 -2.071677
H 5.518254 1.461711 -0.765846
H -3.115317 -0.957997 -2.623524
H -4.250001 -1.300158 -1.280448
H -2.707788 -2.202053 -1.406795
H -2.972819 3.417093 -0.436151
H 5.021733 -1.971760 1.274286
H 5.858403 -0.477016 0.541110
H -5.005765 2.070284 -0.670538
H -1.018383 -4.123553 -0.172746


