%chk=000046107.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046107

0 1
 O    1.644900      0.2821000     -0.9346000    
 O    2.218700     -0.2797000       1.247400    
 N   -2.898900      -1.002200      1.3800000E-02
 N    3.759500     -0.4806000     -0.4754000    
 C   -1.882800     -2.4599999E-02 -1.4700000E-02
 C  -0.6058000     -0.3589000     -0.4658000    
 C   -2.155200       1.276900      0.4073000    
 C   0.3990000      0.6082000     -0.4946000    
 C   -4.286700     -0.6238000     -0.1634000    
 C   -2.567200      -2.400000      0.2067000    
 C   -1.150200       2.243800      0.3787000    
 C   0.1270000       1.909500     -7.2200000E-02
 C    2.526500     -0.1759000      6.3699998E-02
 C    4.871200     -0.9749000      0.3031000    
 H  -0.3704000      -1.361700     -0.8122000    
 H   -3.135200       1.567300      0.7751000    
 H   -4.699900     -0.2175000      0.7657000    
 H   -4.899200      -1.487500     -0.4456000    
 H   -4.401500      0.1177000     -0.9622000    
 H   -1.798600      -2.527800      0.9774000    
 H   -2.216300      -2.848400     -0.7286000    
 H   -3.441800      -2.971100      0.5379000    
 H   -1.360800       3.256500      0.7099000    
 H   0.9052000       2.667600     -9.1700003E-02
 H    3.892700     -0.3499000      -1.473400    
 H    5.170800      -1.942500     -0.1066000    
 H    4.603200      -1.084800       1.356400    
 H    5.698600     -0.2682000      0.2025000    


%chk=000046107-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046107

0 1
O 1.818914 0.696800 -0.157314
O 2.001641 -1.665493 0.188350
N -2.840141 -0.978483 0.169888
N 3.855235 -0.244729 -0.050569
C -1.918874 0.063310 0.007967
C -0.513822 -0.214119 0.018019
C -2.352329 1.415508 -0.170320
C 0.396518 0.846245 -0.146538
C -4.278163 -0.692091 0.156580
C -2.367868 -2.356302 0.357217
C -1.405363 2.446594 -0.331976
C -0.019737 2.184677 -0.323699
C 2.509379 -0.529435 0.012651
C 4.877363 -1.284229 0.080549
H -0.132570 -1.224926 0.151715
H -3.416835 1.663091 -0.183327
H -4.570650 0.001160 0.972434
H -4.839447 -1.630032 0.293201
H -4.600843 -0.240036 -0.804279
H -1.736597 -2.456757 1.263471
H -1.771354 -2.709986 -0.508179
H -3.234076 -3.027648 0.470207
H -1.755471 3.476278 -0.467263
H 0.724565 2.975000 -0.448477
H 4.118638 0.729719 -0.197138
H 5.479401 -1.377359 -0.842634
H 4.365460 -2.242049 0.264315
H 5.553828 -1.075107 0.929746


