%chk=000080315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080315

0 1
 O   -2.708900     -3.2499999E-02 -5.5900000E-02
 O    3.483900      0.7472000     -8.7399997E-02
 O    1.390500       2.560500     -6.7699999E-02
 O    2.944500      -1.969800     -9.7499996E-02
 O   -2.150800      -2.265700     -7.3299997E-02
 C  -0.4445000     -0.6003000     -7.5000003E-02
 C    2.194400      0.3044000     -8.2999997E-02
 C    1.143000       1.220900     -7.3100001E-02
 C    1.926500      -1.064400     -8.8900000E-02
 C  -0.1766000      0.7685000     -6.8999998E-02
 C   0.6071000      -1.516800     -8.4899999E-02
 C   -4.100000     -0.3704000     -4.7300000E-02
 C   -4.917600      0.9121000     -3.3599999E-02
 C   -1.819800      -1.072500     -6.8700001E-02
 C   -6.409200      0.6308000     -8.8999998E-03
 C    4.089400      0.9636000      -1.360000    
 C    1.514600       3.191400       1.205400    
 C    3.433600      -2.407000       1.168900    
 H  -0.9686000       1.512800     -6.2300000E-02
 H   0.4128000      -2.586700     -9.0000004E-02
 H   -4.638300       1.516700      0.8375000    
 H   -4.666600       1.517300     -0.9128000    
 H   -4.318900     -0.9683000      0.8449000    
 H   -4.333400     -0.9586000     -0.9425000    
 H   -6.686100      6.0300000E-02  0.8834000    
 H   -6.972200       1.569400       0.000000    
 H   -6.715300      5.9500001E-02 -0.8911000    
 H    5.112300       1.313900      -1.197200    
 H    4.126000      3.1599998E-02  -1.932800    
 H    3.543400       1.728200      -1.921500    
 H    1.718700       4.253200       1.043000    
 H   0.5833000       3.096500       1.772700    
 H    2.345400       2.757900       1.771200    
 H    2.641900      -2.910900       1.732400    
 H    3.824700      -1.561600       1.743900    
 H    4.246300      -3.117700      0.9955000    


%chk=000080315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080315

0 1
O -2.928771 -0.001778 -0.046348
O 3.434568 0.851555 0.051292
O 1.235543 2.709274 0.215585
O 2.837556 -1.968490 -0.143863
O -2.299653 -2.237718 -0.236161
C -0.584862 -0.510949 -0.034705
C 2.102518 0.383303 0.058994
C 1.032290 1.319779 0.166494
C 1.804657 -1.009410 -0.030679
C -0.303726 0.868548 0.114095
C 0.472494 -1.452440 -0.093121
C -4.355566 -0.427661 -0.133284
C -5.207702 0.839657 -0.055186
C -1.981271 -1.027213 -0.116434
C -6.714395 0.508089 -0.143016
C 4.147173 0.630743 -1.234704
C 2.133830 3.224032 1.273520
C 3.728869 -2.068613 1.035913
H -1.112980 1.599543 0.171698
H 0.254911 -2.520045 -0.186237
H -4.988220 1.366153 0.892544
H -4.918736 1.520997 -0.877082
H -4.566204 -1.126170 0.698131
H -4.502347 -0.973355 -1.084162
H -7.028377 -0.160060 0.680648
H -7.321533 1.428268 -0.079656
H -6.961374 0.006600 -1.097381
H 5.165298 1.015994 -1.073384
H 4.171897 -0.444955 -1.482627
H 3.647991 1.198845 -2.040465
H 2.158400 4.313352 1.119037
H 1.712634 2.996348 2.271807
H 3.143592 2.792692 1.177629
H 3.151659 -2.401307 1.919128
H 4.217427 -1.100303 1.246156
H 4.477909 -2.829804 0.770225


