%chk=000028490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028490

1 1
 O   3.1300001E-02  0.6566000     -0.7754000    
 N    3.585900      6.2500000E-02  0.1928000    
 C    2.348400      0.8640000     -0.1843000    
 C    3.896100     -0.9404000     -0.9090000    
 C    4.767300       1.005800      0.3676000    
 C    3.331900     -0.6794000       1.497100    
 C    1.181800     -8.2500003E-02 -0.3876000    
 C   -1.185700      0.1419000     -0.4115000    
 C   -2.252100       1.000500     -0.1710000    
 C   -1.340900      -1.234000     -0.2869000    
 C   -3.490600      0.4762000      0.1991000    
 C   -2.579300      -1.758200      8.3300002E-02
 C   -3.654300     -0.9032000      0.3263000    
 C   -4.639700       1.390200      0.4594000    
 H    2.145000       1.586800      0.6150000    
 H    2.567400       1.427300      -1.099500    
 H    3.884100     -0.4216000      -1.872100    
 H    4.894300      -1.349300     -0.7205000    
 H    3.177800      -1.763700     -0.8871000    
 H    4.524300       1.719200       1.160600    
 H    5.648700      0.4180000      0.6407000    
 H    4.935700       1.527100     -0.5795000    
 H    2.928600      2.4800001E-02   2.230800    
 H    2.651800      -1.518400       1.331400    
 H    4.289400      -1.076000       1.850700    
 H    1.370100     -0.8029000      -1.187500    
 H   0.9767000     -0.6089000      0.5491000    
 H   -2.116800       2.074100     -0.2737000    
 H  -0.5405000      -1.936900     -0.4962000    
 H   -2.709200      -2.832700      0.1751000    
 H   -4.615100      -1.324100      0.6108000    
 H   -4.297300       2.352100      0.8560000    
 H   -5.194100       1.569900     -0.4672000    
 H   -5.324400      0.9640000       1.200600    


%chk=000028490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028490

1 1
O 0.030302 0.611968 0.117618
N 3.747564 0.035316 0.162828
C 2.342968 0.676670 0.156402
C 3.982117 -0.777089 -1.111309
C 4.774817 1.170167 0.220741
C 3.933295 -0.860700 1.387872
C 1.158421 -0.305060 0.115701
C -1.281612 0.043251 0.078622
C -2.330270 0.988625 0.080858
C -1.533677 -1.343596 0.040979
C -3.675119 0.555752 0.044625
C -2.882917 -1.774061 0.004552
C -3.938429 -0.842689 0.006258
C -4.817039 1.554985 0.046474
H 2.265778 1.297032 1.065326
H 2.292915 1.339277 -0.724115
H 3.801596 -0.132245 -1.984796
H 5.023161 -1.134854 -1.118247
H 3.297751 -1.636855 -1.134151
H 4.617827 1.749345 1.143150
H 5.787597 0.739255 0.216219
H 4.640428 1.821471 -0.656016
H 3.693445 -0.283073 2.293461
H 3.267908 -1.732252 1.312822
H 4.980151 -1.199003 1.425081
H 1.156365 -0.929344 -0.801810
H 1.128009 -0.968453 1.004708
H -2.084015 2.054979 0.111204
H -0.730038 -2.086942 0.039426
H -3.101205 -2.846801 -0.025043
H -4.975470 -1.195076 -0.022036
H -4.453729 2.595489 0.080570
H -5.442800 1.444396 -0.858317
H -5.479498 1.398919 0.917744


