%chk=000094411.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094411

0 1
 O   0.9126000      0.1114000      -1.860700    
 N    1.561000     -0.3245000      0.3206000    
 N  -0.7781000       2.222500      0.1920000    
 C    3.000900     -0.2771000      7.0900001E-02
 C    3.734200      -1.217000       1.023500    
 C    3.496400       1.157200      0.2269000    
 C  -0.7808000     -0.1762000     -0.2644000    
 C   0.6429000     -0.1224000     -0.6854000    
 C   -1.429200      0.9696000      0.1507000    
 C   -1.415000      -1.402900     -0.3059000    
 C   -2.766000      0.8865000      0.5406000    
 C   -2.751800      -1.486000      8.3899997E-02
 C   -3.427100     -0.3412000      0.5072000    
 H    3.183900     -0.6041000     -0.9594000    
 H    1.239000     -0.4588000       1.275200    
 H    3.375600      -2.245100      0.9035000    
 H    4.811700      -1.207800      0.8295000    
 H    3.571900     -0.9312000       2.068700    
 H    2.986400       1.826700     -0.4743000    
 H    4.572000       1.221800      3.3100002E-02
 H    3.307600       1.534900       1.238100    
 H  -0.8955000      -2.298400     -0.6345000    
 H   -3.304400       1.770500      0.8726000    
 H   -3.266700      -2.441900      5.7999998E-02
 H   -4.467900     -0.4061000      0.8108000    
 H   -1.283700       3.041600      0.5029000    
 H   0.1916000       2.308500     -7.9999998E-02


%chk=000094411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094411

0 1
O 1.088587 1.437851 -0.956096
N 1.660357 -0.406663 0.309409
N -1.398718 2.296469 -0.963872
C 3.110177 -0.210115 0.078516
C 3.828685 -1.572179 0.151637
C 3.698789 0.818028 1.074591
C -0.731243 0.150717 0.044514
C 0.708009 0.436619 -0.234864
C -1.737297 1.124126 -0.320455
C -1.155613 -1.061025 0.660707
C -3.106079 0.850887 0.003285
C -2.503603 -1.322169 0.958686
C -3.480357 -0.343938 0.631475
H 3.200522 0.208922 -0.940000
H 1.381220 -1.127061 0.975606
H 3.417220 -2.280695 -0.589141
H 4.906385 -1.445092 -0.052292
H 3.733495 -2.022758 1.159585
H 3.159079 1.776271 0.990784
H 4.767162 1.000145 0.855574
H 3.616407 0.452806 2.115682
H -0.421198 -1.842378 0.892610
H -3.866356 1.596243 -0.261263
H -2.796448 -2.266914 1.426754
H -4.536647 -0.526585 0.860378
H -2.113926 2.978424 -1.202167
H -0.407109 2.410566 -1.225542


