%chk=000096800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096800

0 1
 O   -3.076000     -0.5556000       2.095800    
 O   -4.692000      -1.260700     -0.9016000    
 O   -3.928800      0.8751000     -0.9410000    
 O    1.228100       3.254000      0.1991000    
 O  -0.8522000       2.558500      0.1092000    
 O    4.478200      -2.007500     -0.1840000    
 O    4.869800      0.1449000     -2.2000000E-03
 N   -1.461400      0.1556000     -9.4700001E-02
 N   0.3810000       2.334500      0.1101000    
 N    4.075900     -0.8226000     -9.2799999E-02
 C   -2.443700     -0.9048000     -0.1954000    
 C  -9.6299998E-02 -6.5200001E-02 -9.3599997E-02
 C   -2.649100      -1.548800       1.170600    
 C   0.8350000      0.9899000      6.0000001E-03
 C   0.4051000      -1.379300     -0.1932000    
 C    2.207400      0.7409000      6.6000000E-03
 C    2.678700     -0.5683000     -9.2699997E-02
 C   -3.737100     -0.3122000     -0.7132000    
 C    1.777600      -1.628600     -0.1930000    
 H   -2.150400      -1.644800     -0.9494000    
 H   -1.808800       1.082500      0.1132000    
 H   -1.731000      -1.998200       1.559700    
 H   -3.418200      -2.327100       1.129500    
 H  -0.2427000      -2.246600     -0.2740000    
 H    2.913700       1.564200      8.4500000E-02
 H    2.109400      -2.660800     -0.2722000    
 H   -3.203600     -0.9991000       2.951700    
 H   -5.529700     -0.8744000      -1.235200    


%chk=000096800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096800

0 1
O -3.298486 -0.587443 2.050868
O -4.745997 -1.273757 -0.836502
O -3.964255 0.919720 -0.886128
O 1.344287 3.307614 0.230744
O -0.837734 2.672750 0.101865
O 4.561208 -2.043967 -0.197570
O 4.964142 0.198949 -0.011290
N -1.454567 0.126027 -0.116169
N 0.440971 2.396482 0.116892
N 4.166455 -0.813475 -0.104406
C -2.468149 -0.924744 -0.169874
C -0.105035 -0.090014 -0.104257
C -2.714021 -1.618816 1.194783
C 0.856123 0.992888 0.000691
C 0.445157 -1.418923 -0.205341
C 2.244815 0.752748 0.000717
C 2.717202 -0.561266 -0.105272
C -3.777396 -0.288091 -0.658060
C 1.816805 -1.654810 -0.212019
H -2.195510 -1.705022 -0.906720
H -1.768407 1.111732 -0.044631
H -1.750519 -1.990851 1.599086
H -3.407820 -2.468527 1.038467
H -0.230568 -2.273357 -0.288564
H 2.939193 1.592965 0.082927
H 2.221037 -2.667129 -0.296241
H -3.458241 -0.938146 2.960965
H -5.601791 -0.858037 -1.127161


