%chk=000010196.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010196

0 1
 O  -0.8426000       1.563900      0.2525000    
 O   0.3681000      -1.395500      0.2537000    
 O   3.9099999E-02   1.878200      -1.857300    
 O    3.951500      -1.118000      0.3914000    
 O    1.847600      -1.185600       2.009600    
 N   -3.834700     -0.2892000     -0.7579000    
 C   -2.341800     -0.2019000     -0.5994000    
 C   -2.125700       1.281500     -0.3030000    
 C   -3.250400       1.593300      0.6594000    
 C   -4.412300      0.8021000      7.0299998E-02
 C   -2.015700      -1.230200      0.4607000    
 C   -4.198000      -1.624600     -0.2303000    
 C   -3.065700      -2.038700      0.6419000    
 C  -0.7198000      -1.335300       1.187400    
 C   0.1610000       1.775900     -0.6442000    
 C    2.698800      -1.330000     -0.2643000    
 C    1.486700       1.758900      3.0900000E-02
 C    1.614200      -1.292500      0.8107000    
 C    2.664500       1.246100     -0.7634000    
 C    2.501900     -0.1892000      -1.260600    
 C    2.739200      -2.749800     -0.8493000    
 C    1.604000       2.223500       1.283800    
 C    2.245100     -0.3923000      -2.566600    
 C    2.885000       2.249500       2.043800    
 H   -1.839600     -0.4844000      -1.532800    
 H   -2.285700       1.878100      -1.213100    
 H   -3.457800       2.666500      0.7151000    
 H   -3.007000       1.253200       1.673200    
 H   -5.090500      0.4642000      0.8618000    
 H   -4.995000       1.447800     -0.5970000    
 H   -4.291300      -2.330400      -1.063700    
 H   -5.151900      -1.626000      0.3071000    
 H   -3.099700      -2.876400       1.322800    
 H  -0.6022000     -0.4698000       1.849200    
 H  -0.6943000      -2.242800       1.802800    
 H    2.793500       1.922300      -1.621100    
 H    3.615400       1.326600     -0.2281000    
 H    2.904200      -3.491100     -5.7599999E-02
 H    1.806300      -3.020000      -1.355800    
 H    3.571500      -2.862500      -1.553700    
 H   0.7409000       2.627000       1.807200    
 H    4.105400      -1.857200       1.004300    
 H    2.134800      -1.380900      -2.995100    
 H    2.133200      0.4401000      -3.254400    
 H    3.496700       3.105400       1.743800    
 H    3.460300       1.326000       1.937500    
 H    2.668400       2.355700       3.112600    


%chk=000010196-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010196

0 1
O -0.866359 1.550953 0.281825
O 0.386665 -1.327361 0.209228
O 0.013622 1.770286 -1.874142
O 4.033627 -0.935601 0.389613
O 1.901716 -1.297407 1.975922
N -3.929742 -0.322780 -0.684521
C -2.424823 -0.216906 -0.590726
C -2.186906 1.299326 -0.331801
C -3.341210 1.699350 0.592414
C -4.519548 0.920429 -0.058357
C -2.044456 -1.214833 0.523000
C -4.317131 -1.619973 -0.048654
C -3.108658 -2.017965 0.790017
C -0.726965 -1.292363 1.230621
C 0.203624 1.689714 -0.636603
C 2.787295 -1.270252 -0.326850
C 1.544121 1.672572 0.019028
C 1.654540 -1.272100 0.740322
C 2.676782 1.264107 -0.919012
C 2.577356 -0.188505 -1.396980
C 2.896665 -2.713084 -0.878430
C 1.670319 2.015271 1.337756
C 2.344500 -0.485546 -2.698600
C 2.927671 2.028566 2.164147
H -1.930147 -0.512891 -1.534879
H -2.232694 1.835041 -1.296864
H -3.509941 2.788295 0.616920
H -3.144613 1.345028 1.620375
H -5.299589 0.656800 0.680224
H -4.996555 1.537155 -0.843917
H -4.525539 -2.391623 -0.819641
H -5.243863 -1.505435 0.546388
H -3.107729 -2.867230 1.480965
H -0.541303 -0.402205 1.858189
H -0.646282 -2.196818 1.858537
H 2.649044 1.918165 -1.808493
H 3.648966 1.399787 -0.418215
H 3.088594 -3.412213 -0.045514
H 1.974535 -3.026488 -1.396366
H 3.749753 -2.765178 -1.574549
H 0.750205 2.297592 1.868831
H 3.878049 -1.143743 1.354070
H 2.289146 -1.512464 -3.072333
H 2.179399 0.311737 -3.430735
H 3.067624 3.015708 2.645250
H 3.831282 1.781092 1.585963
H 2.834554 1.285490 2.981379


