%chk=000003829.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003829

0 1
 O   -1.579800       2.384900      -1.145800    
 O   -1.538000     -0.5513000       2.067100    
 O   -3.377000      0.8344000      0.5464000    
 O   0.6473000      -2.769100      -1.563800    
 O    2.466300      -1.099400       1.132900    
 O    3.420000       1.445400      0.3973000    
 N   0.5315000     -0.4081000     -4.0100001E-02
 N    1.292300       1.663900     -0.5985000    
 C   0.1587000      0.7893000     -0.7618000    
 C  -0.4214000      -1.499900      0.1549000    
 C   -1.139900       1.388500     -0.2226000    
 C   -1.739300     -0.9214000      0.6975000    
 C   -2.222700      0.3013000     -0.1016000    
 C  -0.6142000      -2.288300      -1.138200    
 C    1.803500     -0.3227000      0.4787000    
 C    2.312800       1.052400      9.7700000E-02
 H   8.1299998E-02  0.5555000      -1.830200    
 H   2.7500000E-02  -2.169700      0.8998000    
 H  -0.9808000       1.884000      0.7432000    
 H   -2.525600      -1.685400      0.7055000    
 H   -2.545200     -6.8999999E-03  -1.102800    
 H    1.363000       2.589200      -1.010100    
 H   -1.038700      -1.681600      -1.944000    
 H   -1.272500      -3.147100     -0.9744000    
 H   -2.425600       2.732800     -0.8150000    
 H   -1.291600      -1.355600       2.554800    
 H   -3.115800       1.099300       1.444900    
 H    1.207600      -1.997400      -1.753600    


%chk=000003829-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003829

0 1
O -1.566646 2.475260 -1.063924
O -1.506933 -0.411909 2.052305
O -3.400661 0.877702 0.552556
O 0.542651 -3.058334 -1.621176
O 2.324833 -1.119199 1.288400
O 3.417664 1.645322 0.492419
N 0.577149 -0.409285 -0.147333
N 1.336430 1.686413 -0.653301
C 0.164627 0.829437 -0.839016
C -0.387979 -1.496033 0.078206
C -1.125075 1.387109 -0.197403
C -1.701279 -0.932176 0.686630
C -2.216801 0.296195 -0.090926
C -0.637574 -2.300377 -1.223867
C 1.794767 -0.273402 0.530453
C 2.330881 1.130106 0.146459
H -0.035459 0.656820 -1.916564
H 0.097002 -2.185212 0.798762
H -0.887921 1.752252 0.823066
H -2.474927 -1.727575 0.685079
H -2.554885 0.007148 -1.101587
H 1.372786 2.631595 -1.034731
H -0.977900 -1.631218 -2.043836
H -1.417441 -3.061258 -1.051231
H -2.467851 2.755925 -0.756448
H -1.216831 -1.131457 2.665252
H -3.221101 0.870260 1.531944
H 1.322175 -2.447108 -1.671988


