%chk=000086504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086504

0 1
 O   -2.591500      -2.750500      5.5500001E-02
 O  -0.5586000      -1.967500     -0.2147000    
 N   0.8101000      0.4308000      0.6456000    
 N   -1.791800      -1.794100     -7.2899997E-02
 C   -1.453500      0.6330000     -0.1969000    
 C   -2.301400     -0.4657000     -5.7399999E-02
 C   -1.977800       1.925500     -0.1787000    
 C   -3.673700     -0.2719000      0.1000000    
 C  -1.3900000E-02  0.4705000     -0.3628000    
 C    2.171200      0.2686000      0.3365000    
 C   -3.350200       2.119200     -2.1400001E-02
 C   -4.198200       1.020600      0.1179000    
 C    2.969600       1.388500      0.1259000    
 C    2.710400      -1.010600      0.2433000    
 C    4.320800       1.227600     -0.1808000    
 C    4.061600      -1.171500     -6.3400000E-02
 C    4.866800     -5.2499998E-02 -0.2756000    
 H   -1.327400       2.790000     -0.2865000    
 H   -4.367900      -1.100900      0.2116000    
 H   0.3449000      0.3952000      -1.407000    
 H   -3.758500       3.125400     -7.3000002E-03
 H   -5.266700       1.172100      0.2404000    
 H    2.552500       2.389300      0.1984000    
 H    2.096600      -1.890100      0.4138000    
 H    4.947800       2.099000     -0.3457000    
 H    4.487200      -2.168100     -0.1354000    
 H    5.918900     -0.1779000     -0.5140000    


%chk=000086504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086504

0 1
O -3.324790 -2.729565 -0.898921
O -1.227273 -2.590516 -0.029797
N 0.880891 0.872231 0.096279
N -2.350801 -2.054285 -0.384803
C -1.467732 0.318231 -0.018247
C -2.555396 -0.597275 -0.169508
C -1.811269 1.678493 0.234063
C -3.905032 -0.177694 -0.097111
C -0.035455 -0.029335 -0.169540
C 2.265737 0.569620 -0.003098
C -3.147815 2.101876 0.331123
C -4.204160 1.171968 0.158392
C 3.141136 1.658838 -0.267660
C 2.814730 -0.731544 0.200194
C 4.530281 1.447456 -0.375856
C 4.207033 -0.930545 0.110265
C 5.069777 0.152166 -0.187579
H -0.978526 2.379710 0.342933
H -4.692991 -0.922451 -0.234337
H 0.206277 -1.040077 -0.531225
H -3.371811 3.154451 0.533777
H -5.247501 1.495343 0.227089
H 2.704726 2.655012 -0.392184
H 2.159213 -1.570240 0.462378
H 5.193827 2.291387 -0.594009
H 4.623222 -1.929552 0.281482
H 6.151003 -0.009703 -0.255703


