%chk=000003312.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003312

0 1
 O    7.463600      -1.691800     -0.1505000    
 O   -7.865500      -1.345700     -0.1598000    
 O   -7.844600      0.9303000     -0.5448000    
 C    4.515300      0.3415000     -0.9366000    
 C    3.875500      0.3216000      0.2949000    
 C    5.724800     -0.3353000      -1.093200    
 C    4.420900     -0.3615000       1.373000    
 C    6.282500      -1.025200     -1.6899999E-02
 C    5.630600      -1.038300       1.216300    
 C    3.927700       1.078400      -2.100800    
 C    2.596800       1.035400      0.4632000    
 C    6.431900     -0.3273000      -2.411400    
 C    3.753100     -0.4015000       2.710300    
 C    1.386600      0.4987000      0.2306000    
 C   9.2399999E-02   1.171100      0.3804000    
 C    8.655300     -0.9607000      0.1309000    
 C   9.8800004E-02   2.614900      0.8172000    
 C   -1.030200      0.4751000      0.1013000    
 C   -2.404800      0.9238000      0.1904000    
 C   -3.470300      0.1617000     -0.1081000    
 C   -4.880100      0.5590000     -3.7599999E-02
 C   -5.181000       1.955100      0.4440000    
 C   -5.811400     -0.3537000     -0.3802000    
 C   -7.278300     -0.1359000     -0.3716000    
 C   -9.297000      -1.340200     -0.1429000    
 C   -9.792500      -2.749600      0.1016000    
 H    6.073400      -1.580700       2.048300    
 H    3.264600       1.895700      -1.800800    
 H    3.358900      0.3886000      -2.732900    
 H    4.700000       1.562000      -2.708100    
 H    2.707500       2.061800      0.8026000    
 H    6.929000      0.6353000      -2.568700    
 H    7.191400      -1.111900      -2.487900    
 H    5.735800     -0.5161000      -3.235700    
 H    3.574000      0.6116000       3.085700    
 H    4.369800     -0.9126000       3.457900    
 H    2.802600     -0.9415000       2.649100    
 H    1.349700     -0.5377000     -0.1045000    
 H    8.680300     -0.6648000       1.184400    
 H    8.731700     -7.5400002E-02 -0.5083000    
 H    9.511200      -1.611000     -6.9600001E-02
 H  -0.8915000       3.068700      0.8829000    
 H   0.6720000       3.225200      0.1099000    
 H   0.5535000       2.710200       1.809700    
 H  -0.9267000     -0.5619000     -0.2211000    
 H   -2.564600       1.944000      0.5178000    
 H   -3.286300     -0.8604000     -0.4395000    
 H   -6.240800       2.142800      0.6223000    
 H   -4.687600       2.148300       1.403600    
 H   -4.833800       2.695000     -0.2853000    
 H   -5.505600      -1.354700     -0.6810000    
 H   -9.672000     -0.9777000      -1.106400    
 H   -9.650100     -0.6796000      0.6568000    
 H   -9.410600      -3.132600       1.053700    
 H   -9.432100      -3.425900     -0.6806000    
 H   -10.88540      -2.782100      0.1207000    


%chk=000003312-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003312

0 1
O 7.807594 -1.043424 -0.673476
O -7.977088 -1.250751 -0.731509
O -8.018100 0.632049 0.652040
C 4.239119 -0.119940 -1.040605
C 3.951968 0.506254 0.227893
C 5.532351 -0.640888 -1.317979
C 5.016948 0.659822 1.180574
C 6.553033 -0.503936 -0.334414
C 6.298709 0.151384 0.891495
C 3.198576 -0.187893 -2.148831
C 2.627394 1.017342 0.614184
C 5.855800 -1.326549 -2.634819
C 4.795273 1.330896 2.528501
C 1.380144 0.542139 0.258307
C 0.107462 1.096579 0.704102
C 8.891866 -0.926123 0.303018
C 0.112946 2.320819 1.602288
C -1.065084 0.471371 0.280374
C -2.421457 0.837942 0.596079
C -3.524662 0.143926 0.125176
C -4.916522 0.466252 0.413429
C -5.232097 1.656188 1.302018
C -5.892520 -0.345620 -0.148469
C -7.346168 -0.218219 0.001481
C -9.465049 -1.259662 -0.678984
C -9.928261 -2.441011 -1.526763
H 7.090371 0.263062 1.638248
H 2.463671 0.628369 -2.062671
H 2.637372 -1.143742 -2.135883
H 3.676072 -0.114487 -3.140186
H 2.647721 1.852440 1.326788
H 5.908289 -0.599668 -3.469325
H 6.830358 -1.832975 -2.575229
H 5.086447 -2.073395 -2.900919
H 4.505861 2.394457 2.418986
H 5.716901 1.303208 3.134093
H 3.995039 0.835043 3.108354
H 1.307366 -0.346400 -0.381031
H 8.640641 -1.442576 1.249824
H 9.133102 0.134250 0.511801
H 9.756391 -1.416447 -0.168468
H -0.900779 2.647004 1.879091
H 0.616616 3.171654 1.105690
H 0.666501 2.117881 2.539084
H -0.949554 -0.409677 -0.370681
H -2.590377 1.709049 1.241289
H -3.348909 -0.728989 -0.521967
H -6.316062 1.769047 1.442276
H -4.753793 1.536073 2.292538
H -4.831957 2.586989 0.856765
H -5.581716 -1.186590 -0.779775
H -9.837598 -0.291914 -1.062847
H -9.780517 -1.347856 0.377136
H -9.530064 -3.390373 -1.129155
H -9.588847 -2.332622 -2.571251
H -11.032321 -2.497262 -1.522984


