%chk=000050047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050047

0 1
 O   -2.922000     -0.5005000      5.8800001E-02
 O    4.792900     -0.5377000     -0.3057000    
 O   -1.485400       1.135900     -0.6398000    
 N   -6.472000      0.4745000     -0.1222000    
 N  -0.7218000     -0.9420000      0.1212000    
 C   -5.309700     -0.3771000      0.1287000    
 C   -4.023000      0.3558000     -0.2158000    
 C    5.363300      0.7610000     -0.1519000    
 C   -6.380600       1.707200      0.6593000    
 C   -7.707700     -0.2408000      0.1942000    
 C    6.768600      0.6173000      0.4118000    
 C   0.6838000     -0.8387000      1.2900000E-02
 C    3.439600     -0.6365000     -0.1998000    
 C    1.474400      -1.913300      0.3875000    
 C    1.243700      0.3351000     -0.4659000    
 C    2.861400      -1.811500      0.2805000    
 C    2.630700      0.4368000     -0.5730000    
 C    7.435400       1.965500      0.6173000    
 C   -1.671600      8.8000000E-03 -0.1980000    
 H   -5.272200     -0.7175000       1.172500    
 H   -5.366900      -1.285800     -0.4844000    
 H   -4.013900      0.6343000      -1.276600    
 H   -3.886100       1.252700      0.3958000    
 H    5.398000       1.254100      -1.130400    
 H    4.781300       1.376100      0.5468000    
 H    6.730100      7.2999999E-02   1.363100    
 H    7.374300      1.0000000E-03 -0.2633000    
 H   -5.628500       2.392300      0.2559000    
 H   -6.172600       1.519600       1.719000    
 H   -7.323700       2.264900      0.6023000    
 H   -8.582200      0.3732000     -4.8400000E-02
 H   -7.764900     -0.5205000       1.252600    
 H   -7.790200      -1.152300     -0.4085000    
 H    1.034500      -2.833100      0.7627000    
 H   0.6831000       1.203600     -0.7799000    
 H    3.486600      -2.650800      0.5726000    
 H    3.039800       1.357900     -0.9779000    
 H   -1.074700      -1.826500      0.4785000    
 H    6.868100       2.581100       1.322700    
 H    8.444600       1.832100       1.019200    
 H    7.515900       2.511500     -0.3281000    


%chk=000050047-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050047

0 1
O -2.999344 -0.398052 0.117363
O 4.878754 -0.485513 0.372109
O -1.545670 1.416783 -0.283117
N -6.637122 0.422630 -0.182747
N -0.776881 -0.756273 0.282716
C -5.406278 -0.324910 0.161070
C -4.152514 0.488556 -0.185671
C 5.603297 0.759494 0.059645
C -6.939426 1.520299 0.759865
C -7.801060 -0.464323 -0.383608
C 7.098409 0.452714 0.175182
C 0.639920 -0.605235 0.287735
C 3.474748 -0.452178 0.326347
C 1.422282 -1.750097 0.603180
C 1.290234 0.617835 -0.007204
C 2.824189 -1.675856 0.622735
C 2.700607 0.691478 0.012641
C 7.960595 1.693847 -0.143452
C -1.729001 0.208307 0.010534
H -5.368847 -0.622679 1.239104
H -5.385836 -1.255508 -0.434800
H -4.142610 0.754945 -1.256865
H -4.055237 1.413536 0.409243
H 5.345447 1.093796 -0.967758
H 5.305120 1.555162 0.775044
H 7.310204 0.090820 1.198511
H 7.346417 -0.374292 -0.515923
H -6.096969 2.230717 0.811168
H -7.152864 1.159008 1.798509
H -7.823521 2.077679 0.402901
H -8.664061 0.132857 -0.728983
H -8.112142 -1.011698 0.542626
H -7.571683 -1.211870 -1.163348
H 0.930868 -2.703860 0.833626
H 0.693027 1.499381 -0.249570
H 3.433532 -2.551965 0.863557
H 3.176997 1.648420 -0.219233
H -1.150974 -1.682372 0.499360
H 7.741099 2.526659 0.550901
H 9.035350 1.456805 -0.053682
H 7.781342 2.055652 -1.173414


