%chk=000013829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013829

0 1
 O  -9.0200000E-02   2.455300      6.0100000E-02
 N  -1.0700000E-02  0.3778000     -0.3154000    
 N   0.3220000       1.588300     -0.7197000    
 C   -2.145300     -0.8025000      0.1948000    
 C    2.381300     -0.2930000     -1.2800000E-02
 C   -1.301700     -4.6999998E-02 -0.8464000    
 C    1.006800     -0.6450000     -0.6073000    
 C   -2.363400      8.3499998E-02   1.424200    
 C   -3.498700      -1.253200     -0.3611000    
 C    2.257500     -0.1111000       1.502400    
 C    3.442400      -1.353100     -0.3187000    
 H   -1.604200      -1.702500      0.5129000    
 H    2.747400      0.6477000     -0.4435000    
 H   -1.189100     -0.6593000      -1.752600    
 H   -1.902200      0.8182000      -1.170500    
 H    1.118700     -0.7826000      -1.692500    
 H   0.6868000      -1.611700     -0.1966000    
 H   -2.849300       1.027900       1.155700    
 H   -3.002100     -0.4242000       2.155600    
 H   -1.420700      0.3145000       1.930700    
 H   -4.104100     -0.3963000     -0.6749000    
 H   -4.064100      -1.812100      0.3919000    
 H   -3.359600      -1.905800      -1.229200    
 H    1.854300      -1.011500       1.979000    
 H    3.239600      8.7499999E-02   1.946100    
 H    1.613500      0.7320000       1.769400    
 H    3.166200      -2.324100      0.1061000    
 H    4.414700      -1.064900      9.4599999E-02
 H    3.560800      -1.478100      -1.400000    


%chk=000013829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013829

0 1
O -0.580388 2.523540 -0.424001
N 0.015927 0.359656 -0.655204
N 0.388694 1.670852 -0.425760
C -2.092937 -0.767776 0.213889
C 2.387277 -0.297553 0.051993
C -1.377206 -0.040354 -0.958169
C 1.113470 -0.631094 -0.764197
C -2.198104 0.132907 1.464666
C -3.486926 -1.237983 -0.264742
C 2.099966 -0.230209 1.568903
C 3.462910 -1.363186 -0.264799
H -1.498146 -1.668313 0.478799
H 2.755821 0.691615 -0.276089
H -1.357651 -0.695623 -1.851182
H -1.923014 0.889259 -1.207257
H 1.380882 -0.747396 -1.836276
H 0.708948 -1.603339 -0.420225
H -2.788917 1.040930 1.245521
H -2.689560 -0.408971 2.293476
H -1.201510 0.458345 1.812627
H -4.116297 -0.372541 -0.546523
H -4.011388 -1.786861 0.538301
H -3.414262 -1.907532 -1.142684
H 1.685361 -1.189470 1.936616
H 3.031534 -0.028723 2.128521
H 1.384316 0.575165 1.807927
H 3.129699 -2.372752 0.046167
H 4.399196 -1.139369 0.277216
H 3.698905 -1.398524 -1.345217


