%chk=000068319.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068319

0 1
 O  -0.8410000      -1.039500     -0.8823000    
 N    1.628500     -9.7099997E-02 -0.1803000    
 N   -1.846600      0.6451000      0.3610000    
 N   -3.089900      4.7100000E-02  0.3188000    
 C   0.4967000      0.8285000     -0.1490000    
 C    1.542200      -1.047600      0.9277000    
 C    2.891700      0.6380000     -0.1260000    
 C  -0.7817000      2.5500000E-02 -0.2698000    
 H   0.5297000       1.511300      -1.006300    
 H   0.4904000       1.428000      0.7697000    
 H    2.426900      -1.696100      0.9345000    
 H   0.6904000      -1.729300      0.8540000    
 H    1.496200     -0.5424000       1.900000    
 H    3.741500     -4.9600001E-02 -0.2010000    
 H    2.995700       1.215900      0.7996000    
 H    2.971700       1.327700     -0.9737000    
 H   -1.758300       1.532000      0.8468000    
 H   -3.732100      0.7284000     -8.3800003E-02
 H   -3.387800     -8.3600000E-02   1.284700    


%chk=000068319-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068319

0 1
O -1.175069 -0.584635 -1.229966
N 1.596145 -0.070529 -0.079054
N -1.818358 0.673332 0.611853
N -3.166861 0.225443 0.614142
C 0.503141 0.908174 -0.163326
C 1.491731 -0.966600 1.085392
C 2.923300 0.553509 -0.220519
C -0.878823 0.246064 -0.325843
H 0.666632 1.535759 -1.060182
H 0.479286 1.603884 0.722399
H 2.303965 -1.713190 1.045365
H 0.533024 -1.512801 1.053290
H 1.560765 -0.430923 2.068086
H 3.697903 -0.233325 -0.245387
H 3.180245 1.261399 0.609830
H 2.974222 1.110575 -1.173341
H -1.562440 1.306710 1.371073
H -3.645436 0.531558 -0.245562
H -3.199171 -0.802105 0.686351


