%chk=000080469.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080469

0 1
 O   -2.620900       2.077800     -0.1572000    
 N  -0.3980000       1.552600     -0.2699000    
 N  -0.4499000      -1.504600     -0.3364000    
 C   -1.945800      3.4600001E-02  0.8659000    
 C   0.7253000      0.7062000     -0.1404000    
 C   -1.634800      -1.198100      7.7000000E-02
 C   0.6773000     -0.7004000     -8.4799998E-02
 C   -1.702500       1.291900      8.1500001E-02
 C    1.970400       1.360100     -9.3699999E-02
 C    1.887300      -1.401000      7.9200000E-02
 C   -2.774000      -2.123700     -0.2610000    
 C    3.154100      0.6438000      7.0699997E-02
 C    3.111600     -0.7393000      0.1691000    
 H   -2.997700      1.3100000E-02   1.171900    
 H   -1.347000      4.7899999E-02   1.783300    
 H  -0.2104000       2.496600     -0.5991000    
 H    2.026100       2.445200     -0.1587000    
 H    1.881700      -2.489400      0.1125000    
 H   -2.419200      -2.979800     -0.8411000    
 H   -3.520000      -1.579400     -0.8463000    
 H   -3.233500      -2.484000      0.6633000    
 H    4.104300       1.166500      0.1228000    
 H    4.029100      -1.306800      0.2926000    


%chk=000080469-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080469

0 1
O -2.686297 2.051162 -0.182626
N -0.444218 1.469666 -0.381418
N -0.435511 -1.547984 -0.313045
C -1.896830 0.011486 0.969993
C 0.726150 0.693618 -0.144282
C -1.635364 -1.219047 0.098112
C 0.705701 -0.743352 -0.084430
C -1.741348 1.263908 0.104235
C 1.968575 1.380152 -0.059956
C 1.944066 -1.427690 0.085395
C -2.822840 -2.057345 -0.305351
C 3.174465 0.679724 0.116032
C 3.160598 -0.736437 0.202230
H -2.913903 0.009147 1.386632
H -1.156063 0.041651 1.793355
H -0.322457 2.357670 -0.879495
H 1.972936 2.475804 -0.117124
H 1.908142 -2.521438 0.099791
H -2.503920 -2.883295 -0.958624
H -3.569251 -1.436337 -0.837690
H -3.333203 -2.471195 0.585683
H 4.118696 1.229770 0.185642
H 4.095376 -1.289837 0.338140


