%chk=000050400.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050400

0 1
 O  -0.7117000      -2.052900       1.134200    
 N   -1.479000      -2.099900      -1.034500    
 C  -0.2516000     -0.1599000     -0.2708000    
 C   0.4895000      0.3819000      0.9959000    
 C   0.7733000     -0.2698000      -1.445300    
 C    2.172400      0.2000000     -0.9720000    
 C    1.093900       1.774200      0.6938000    
 C    2.052100       1.672800     -0.5163000    
 C   -1.447400      0.7156000     -0.6696000    
 C    1.678800     -0.5291000       1.262600    
 C    2.545200     -0.6236000      0.2415000    
 C  -0.8328000      -1.522400      3.2800000E-02
 C   -2.443200      0.8330000      0.4756000    
 C   -3.639400       1.680100      7.2200000E-02
 H  -0.1371000      0.4131000       1.892300    
 H   0.4586000      0.3434000      -2.299200    
 H   0.8619000      -1.298200      -1.818600    
 H    2.913700      9.3099996E-02  -1.769600    
 H    1.654200       2.135200       1.566700    
 H   0.3186000       2.524100      0.5067000    
 H    1.679400       2.295100      -1.338700    
 H    3.036400       2.070300     -0.2395000    
 H   -1.960300      0.3312000      -1.559700    
 H   -1.108300       1.717700     -0.9589000    
 H    1.808700      -1.051200       2.201200    
 H    3.439800      -1.230500      0.2765000    
 H   -1.989900       1.312500       1.348300    
 H   -2.818100     -0.1445000      0.7951000    
 H   -1.908200      -3.014700     -0.9418000    
 H   -1.525800      -1.678000      -1.955800    
 H   -3.328300       2.690400     -0.2125000    
 H   -4.170800       1.232300     -0.7738000    
 H   -4.342900       1.765300      0.9065000    


%chk=000050400-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050400

0 1
O -0.945496 -2.069892 1.249978
N -1.354895 -2.314416 -1.006482
C -0.251809 -0.208243 -0.252860
C 0.539534 0.289280 1.018082
C 0.765837 -0.260640 -1.458989
C 2.170629 0.258984 -1.004197
C 1.078571 1.735003 0.759976
C 1.998777 1.731528 -0.502697
C -1.451082 0.737531 -0.619843
C 1.754317 -0.607895 1.210663
C 2.623241 -0.606514 0.162496
C -0.852728 -1.603262 0.075278
C -2.505337 0.950512 0.489281
C -3.673922 1.839437 0.011035
H -0.118344 0.256946 1.900129
H 0.397310 0.366852 -2.295651
H 0.885004 -1.291534 -1.839245
H 2.876184 0.219974 -1.854000
H 1.645207 2.054640 1.652582
H 0.242616 2.449346 0.642263
H 1.559706 2.340230 -1.317921
H 2.988528 2.163630 -0.270977
H -1.959856 0.329406 -1.518367
H -1.039574 1.719392 -0.927505
H 1.885123 -1.192858 2.125624
H 3.553570 -1.183910 0.130492
H -2.028659 1.415948 1.373370
H -2.895699 -0.028100 0.829194
H -1.786971 -3.220780 -0.828914
H -1.289723 -1.972693 -1.963273
H -3.313796 2.836306 -0.307933
H -4.196360 1.380917 -0.850204
H -4.418201 1.991478 0.813917


