%chk=000050577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050577

0 1
 O    2.688600       1.792500      0.6199000    
 N   0.2456000       1.647400     -3.5000000E-02
 N    2.403600      0.8287000     -0.1046000    
 C   0.5982000     -0.7196000     -0.3792000    
 C   -1.639900      0.1580000     -0.3022000    
 C    1.514400      -1.887700     -0.5303000    
 C  -0.7760000     -0.9225000     -0.4425000    
 C   -3.114500     -2.5699999E-02 -0.3638000    
 C    1.054000      0.5730000     -0.1755000    
 C   -1.083900       1.411200     -0.1020000    
 C    1.836500      -2.548700      0.8071000    
 C   -3.726700     -0.3066000       1.007900    
 H    1.052900      -2.633300      -1.191000    
 H    2.443700      -1.602500      -1.037300    
 H   -1.176500      -1.921600     -0.5968000    
 H   -3.584700      0.8671000     -0.7946000    
 H   -3.360600     -0.8488000      -1.046200    
 H   -1.705800       2.293200      1.6400000E-02
 H    2.338100      -1.851700       1.486500    
 H    2.497500      -3.407600      0.6536000    
 H   0.9269000      -2.905000       1.302300    
 H   -3.309900      -1.219100       1.447500    
 H   -4.809900     -0.4352000      0.9188000    
 H   -3.537200      0.5191000       1.702100    


%chk=000050577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050577

0 1
O 2.933207 1.835447 0.394493
N 0.227203 1.632001 0.092291
N 2.506766 0.685626 0.038614
C 0.580166 -0.768569 -0.376221
C -1.698774 0.172393 -0.323721
C 1.520104 -1.950008 -0.531325
C -0.823951 -0.925309 -0.496443
C -3.205410 0.024919 -0.405006
C 1.042293 0.548937 -0.069385
C -1.104772 1.439360 -0.034060
C 1.976334 -2.519788 0.839647
C -3.830975 -0.323718 0.974764
H 1.007744 -2.743640 -1.107976
H 2.417357 -1.642973 -1.095203
H -1.233080 -1.915010 -0.735070
H -3.653121 0.966709 -0.775153
H -3.467741 -0.766268 -1.132344
H -1.738925 2.326828 0.089865
H 2.561661 -1.762735 1.389977
H 2.615662 -3.408168 0.690432
H 1.113033 -2.816213 1.462820
H -3.432499 -1.278823 1.361651
H -4.928212 -0.417481 0.888539
H -3.609669 0.461083 1.719914


