%chk=000068829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068829

0 1
 O   -2.151000       1.696600     -0.6770000    
 N   -1.496600     -0.8459000      0.4415000    
 N   0.2092000      0.8047000      0.6708000    
 N    1.501300       1.199000      0.5133000    
 N    3.732900      0.7503000     -0.1956000    
 N    4.697500     -0.1943000     -0.2789000    
 C   -2.485200      4.2800002E-02   1.036600    
 C   -3.157400      0.9383000     -7.0000002E-03
 C  -0.1710000     -0.4410000      0.2815000    
 C   -3.922700      0.1526000      -1.064300    
 C   -1.927600      -2.176300      3.0099999E-02
 C   0.7334000      -1.334200     -0.2798000    
 C    2.047900     -0.9330000     -0.4403000    
 C    2.389400      0.3404000     -3.0900000E-02
 H   -3.251700     -0.5408000       1.562100    
 H   -2.017200      0.6676000       1.808000    
 H   -3.832800       1.636800      0.4991000    
 H   -4.468500      0.8427000      -1.717800    
 H   -4.648500     -0.5285000     -0.6102000    
 H   -3.253000     -0.4129000      -1.719700    
 H   -1.779500      -2.329100      -1.044700    
 H   -2.994500      -2.331600      0.2262000    
 H   -1.395200      -2.952900      0.5906000    
 H   0.4709000      -2.334000     -0.6064000    
 H   -2.598700       2.286600      -1.307200    
 H    2.748600      -1.626600     -0.8929000    
 H    3.971500       1.678600      0.1325000    
 H    4.992000     -0.4568000      0.6610000    
 H    5.518900      0.2084000     -0.7275000    


%chk=000068829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068829

0 1
O -2.338761 1.552912 -1.140314
N -1.458645 -0.781074 0.371834
N 0.342483 0.652246 0.940903
N 1.665594 0.986267 0.930923
N 3.895022 0.633705 0.361273
N 4.944730 -0.055010 -0.246855
C -2.401574 0.224547 0.880708
C -3.275148 0.944785 -0.177995
C -0.092239 -0.490419 0.296892
C -4.317883 0.071233 -0.905324
C -1.946584 -2.086250 -0.077815
C 0.830967 -1.348159 -0.388659
C 2.186476 -1.009705 -0.392276
C 2.573409 0.179459 0.287281
H -3.083219 -0.241475 1.622285
H -1.792140 0.987699 1.392490
H -3.816700 1.745320 0.379074
H -4.971649 0.695478 -1.545130
H -4.969405 -0.459321 -0.185375
H -3.824171 -0.672991 -1.552669
H -1.956991 -2.193708 -1.184079
H -2.978347 -2.227764 0.283726
H -1.327937 -2.907085 0.337307
H 0.489049 -2.240627 -0.919034
H -2.856120 2.068368 -1.810209
H 2.943553 -1.613626 -0.898373
H 4.038512 1.510199 0.873363
H 5.604089 -0.511563 0.388314
H 5.356026 0.394056 -1.069167


