%chk=000042449.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042449

0 1
 O  -0.4416000      -1.714400     -0.3514000    
 O   -3.489800       1.821700      0.3833000    
 O   -4.136600      1.7400000E-02 -0.7019000    
 N   -3.283500      0.7162000     -0.1369000    
 C   -1.794300      -1.274900     -8.8000000E-02
 C   0.3722000      0.5696000     -4.5899998E-02
 C   0.5764000     -0.8097000     -0.1903000    
 C   -1.957500      0.2068000     -8.0200002E-02
 C  -0.9816000       1.110400     -6.6100001E-02
 C    2.770400      0.8936000      8.1799999E-02
 C    2.968000     -0.4781000     -6.7199998E-02
 C    1.476900       1.418300      8.9199997E-02
 C    1.873000      -1.329700     -0.2072000    
 C   -2.225500      -1.912500       1.232400    
 C    3.929500       1.824000      0.2311000    
 C    4.344000      -1.058700     -8.2800001E-02
 H   -2.385500      -1.716000     -0.8992000    
 H   -1.114600       2.185800     -8.1200004E-02
 H    1.325800       2.490400      0.1985000    
 H    2.018800      -2.400600     -0.3281000    
 H   -2.078100      -2.997800       1.196000    
 H   -1.616300      -1.543300       2.065700    
 H   -3.278000      -1.716500       1.459600    
 H    4.514900       1.571400       1.121100    
 H    4.573900       1.782000     -0.6530000    
 H    3.604000       2.864100      0.3444000    
 H    4.324200      -2.147000     -0.2081000    
 H    4.926200     -0.6490000     -0.9145000    
 H    4.860500     -0.8524000      0.8602000    


%chk=000042449-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042449

0 1
O -0.508124 -1.681294 -0.568935
O -3.641698 1.972761 -0.391630
O -4.374505 -0.199762 -0.341414
N -3.427401 0.696420 -0.317598
C -1.877674 -1.298029 -0.074468
C 0.338132 0.570991 -0.023396
C 0.550977 -0.819579 -0.279853
C -2.065823 0.205780 -0.185683
C -1.014203 1.081437 -0.096328
C 2.786208 0.893118 0.162017
C 2.978285 -0.503990 -0.119647
C 1.474367 1.400184 0.194739
C 1.858799 -1.338265 -0.343301
C -2.063692 -1.813731 1.363472
C 3.973530 1.805568 0.407265
C 4.374758 -1.090635 -0.176029
H -2.558989 -1.825893 -0.759247
H -1.206933 2.159455 -0.112450
H 1.312004 2.467446 0.389569
H 1.991041 -2.401846 -0.564771
H -1.860555 -2.897431 1.402446
H -1.384764 -1.296357 2.063886
H -3.105554 -1.639325 1.683916
H 4.569176 1.477001 1.280553
H 4.662446 1.822376 -0.458958
H 3.647359 2.842158 0.595991
H 4.350657 -2.167633 -0.408941
H 4.991370 -0.588649 -0.946148
H 4.906604 -0.961176 0.786241