%chk=000096622.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096622

0 1
 O    1.609200     -0.1827000     -0.9933000    
 O    3.795800       1.646500      0.1224000    
 O    2.367600      -2.850700     -0.5927000    
 O   -1.153100       2.787900     -0.3893000    
 O   -2.473900      -2.462700      0.3197000    
 O   -4.367000     -0.4513000      0.2303000    
 N  -0.4535000      0.5690000     -0.1841000    
 N   -2.748800       1.167800     -8.1500001E-02
 C    3.031000      0.6083000      0.7311000    
 C   0.9357000      0.8936000     -0.3255000    
 C    1.630800       1.103800       1.009900    
 C    2.805200     -0.5208000     -0.2647000    
 C    2.578400      -1.868200      0.4084000    
 C  -0.8392000     -0.7530000     -2.3000001E-03
 C   -1.423300       1.595500     -0.2305000    
 C   -2.107300      -1.148500      0.1389000    
 C   -3.187700     -0.1347000      0.1031000    
 H    3.565500      0.2893000       1.630700    
 H    1.050800       1.784700     -0.9541000    
 H    1.171600      0.4901000       1.794200    
 H    1.580600       2.149700       1.328600    
 H    3.615400     -0.5969000     -0.9985000    
 H    1.722300      -1.866500       1.086900    
 H    3.466200      -2.154600      0.9822000    
 H    3.867700       2.370900      0.7673000    
 H  -6.5700002E-02  -1.504600      1.8500000E-02
 H   -3.463500       1.889600     -0.1113000    
 H    2.239900      -3.700400     -0.1374000    
 H   -3.443300      -2.490000      0.3962000    


%chk=000096622-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096622

0 1
O 1.737591 -0.094530 -1.110824
O 4.083156 1.478366 -0.037213
O 1.917114 -2.792701 -0.299321
O -1.028057 2.687072 0.312883
O -2.468580 -2.611426 -0.297298
O -4.313489 -0.686204 0.468389
N -0.433234 0.478642 -0.223642
N -2.659764 0.994782 0.375589
C 3.097861 0.678765 0.699828
C 0.974497 0.968594 -0.491976
C 1.717163 1.373863 0.813757
C 2.803317 -0.552525 -0.177689
C 2.362994 -1.769535 0.650391
C -0.783111 -0.867623 -0.399717
C -1.348356 1.470617 0.161449
C -2.070180 -1.283943 -0.157530
C -3.108211 -0.333760 0.251177
H 3.495640 0.398732 1.697838
H 0.884878 1.804272 -1.204528
H 1.166654 1.001757 1.695610
H 1.791190 2.468779 0.904296
H 3.661865 -0.811626 -0.816434
H 1.544680 -1.496097 1.352056
H 3.235341 -2.120402 1.242430
H 4.179758 2.363188 0.397110
H 0.011188 -1.537266 -0.744922
H -3.347384 1.702957 0.651421
H 1.651132 -3.612087 0.188381
H -3.448253 -2.639560 -0.098309


