%chk=000012595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012595

0 1
 O   -4.866400      -1.292500      0.2657000    
 O    5.819600     -0.3755000      7.6800004E-02
 C   -2.725000     -0.1262000      0.5961000    
 C   -2.045000      0.9968000     -0.2206000    
 C   -4.144400     -0.1061000     -7.1999999E-03
 C   -2.018100      -1.490500      0.3954000    
 C   -2.595100      0.8292000      -1.648700    
 C  -0.5364000      0.9724000     -0.1205000    
 C   -3.928500      9.0899996E-02  -1.507200    
 C   0.1392000     -0.3658000     -0.3550000    
 C  -0.4982000      -1.413500      0.5804000    
 C   -2.777700      0.2108000       2.095900    
 C    1.655600     -0.3458000     -0.2248000    
 C   0.1494000       2.073700      0.2264000    
 C    1.630800       2.117500      0.4114000    
 C    2.347700      0.8224000      0.1383000    
 C    2.394800      -1.507700     -0.5116000    
 C    3.748700      0.7978000      0.2425000    
 C    3.786000      -1.520100     -0.4077000    
 C    4.463100     -0.3679000     -2.5599999E-02
 H   -2.418600       1.963500      0.1498000    
 H   -4.723700      0.7418000      0.3804000    
 H   -2.214800      -1.880900     -0.6110000    
 H   -2.425800      -2.234700       1.091100    
 H   -1.925400      0.2582000      -2.300200    
 H   -2.737500       1.807400      -2.122100    
 H   -4.751800      0.6636000      -1.948100    
 H   -3.898100     -0.8681000      -2.037700    
 H  -6.3900001E-02 -0.6552000      -1.395300    
 H  -0.2555000      -1.189100       1.627000    
 H  -8.6700000E-02  -2.410700      0.3837000    
 H   -1.776600      0.3219000       2.524300    
 H   -3.309900       1.152400       2.272300    
 H   -3.297600     -0.5711000       2.659900    
 H  -0.3822000       3.004800      0.4068000    
 H    1.839400       2.423700       1.443800    
 H    2.033900       2.888800     -0.2565000    
 H   -4.962800      -1.364300       1.230200    
 H    1.889300      -2.417600     -0.8261000    
 H    4.278600       1.703700      0.5303000    
 H    4.333400      -2.432000     -0.6299000    
 H    6.120600      0.5079000      0.3509000    


%chk=000012595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012595

0 1
O -4.965599 -1.333489 0.229283
O 5.904552 -0.451358 0.005408
C -2.746824 -0.111844 0.618667
C -2.048124 1.004236 -0.241400
C -4.171569 -0.121972 -0.023319
C -2.033092 -1.480395 0.413845
C -2.603819 0.791051 -1.696667
C -0.535489 0.991063 -0.106715
C -3.945567 0.009098 -1.543485
C 0.138579 -0.352916 -0.350113
C -0.503491 -1.402182 0.619385
C -2.796535 0.263432 2.115919
C 1.661677 -0.314239 -0.243814
C 0.155526 2.091097 0.293920
C 1.651281 2.144352 0.499474
C 2.370517 0.844171 0.166172
C 2.406129 -1.479435 -0.574552
C 3.786092 0.808845 0.255027
C 3.808424 -1.521255 -0.492326
C 4.500123 -0.364016 -0.066216
H -2.416496 1.985842 0.122951
H -4.720252 0.768552 0.361796
H -2.236152 -1.855197 -0.608371
H -2.472829 -2.227696 1.101414
H -1.886451 0.224229 -2.316362
H -2.745114 1.767224 -2.192741
H -4.793804 0.512629 -2.037436
H -3.877345 -1.006607 -1.972510
H -0.121427 -0.695370 -1.377105
H -0.253049 -1.124790 1.661543
H -0.054719 -2.397689 0.439223
H -1.783832 0.390810 2.537680
H -3.340549 1.216083 2.267541
H -3.306633 -0.520395 2.711185
H -0.395592 3.021559 0.495138
H 1.868067 2.430228 1.552190
H 2.079648 2.967280 -0.112621
H -5.179197 -1.381998 1.195558
H 1.871543 -2.375544 -0.912529
H 4.325913 1.712698 0.572751
H 4.376729 -2.419108 -0.751237
H 6.293150 0.406913 0.307050


