%chk=000100826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100826

0 1
 O   0.9362000     -0.2231000      -1.506500    
 N   -1.356500      0.5299000     -0.1908000    
 N   -3.881000     -0.7624000      0.4070000    
 N    2.207200      0.4647000      0.3115000    
 C   -1.407300     -0.8613000      0.2768000    
 C   -2.496600       1.292900      0.3332000    
 C   -2.736000      -1.515100     -0.1104000    
 C   -3.819000      0.6264000     -5.4200001E-02
 C  -9.2600003E-02   1.159200      0.1866000    
 C    1.045400      0.3813000     -0.4420000    
 C    3.450300     -0.1630000     -7.5999998E-02
 C    3.512000      -1.588700      0.4561000    
 C    4.638100      0.6591000      0.4087000    
 H   -1.285500     -0.9057000       1.368200    
 H  -0.6167000      -1.482000     -0.1559000    
 H   -2.485800       2.308100     -8.1500001E-02
 H   -2.436700       1.384800       1.426100    
 H   -2.810500      -1.607500      -1.201500    
 H   -2.770300      -2.530600      0.2996000    
 H   -4.647900       1.184100      0.3953000    
 H   -3.959600      0.6658000      -1.141900    
 H  -3.6800001E-02   2.181500     -0.2054000    
 H   2.3000000E-02   1.201800       1.276400    
 H   -4.746400      -1.191400      8.1000000E-02
 H    3.482300     -0.2038000      -1.171500    
 H    2.182600      0.9500000       1.203800    
 H    4.440500      -2.081400      0.1495000    
 H    3.461000      -1.606500       1.550600    
 H    2.673500      -2.184600      7.8800000E-02
 H    4.594500       1.677400      7.1000000E-03
 H    5.583200      0.2085000      8.8299997E-02
 H    4.649900      0.7362000       1.501700    


%chk=000100826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100826

0 1
O 1.070252 -0.243882 -1.532496
N -1.400516 0.459371 -0.100003
N -3.975636 -0.688892 0.390281
N 2.249320 0.443674 0.348465
C -1.524963 -0.916736 0.438703
C -2.551715 1.310527 0.285553
C -2.846293 -1.549740 -0.031739
C -3.867835 0.668618 -0.189061
C -0.113936 1.092208 0.201195
C 1.095480 0.351567 -0.415247
C 3.542596 -0.127868 -0.093352
C 3.649086 -1.621823 0.295906
C 4.702115 0.710689 0.479988
H -1.502301 -0.920113 1.558994
H -0.678514 -1.517645 0.062254
H -2.432332 2.304229 -0.187248
H -2.608119 1.454241 1.395434
H -2.790074 -1.675415 -1.139906
H -2.960042 -2.548110 0.429209
H -4.721206 1.280722 0.156885
H -3.865659 0.662751 -1.306537
H -0.124030 2.114354 -0.228319
H 0.063016 1.211773 1.307471
H -4.890568 -1.122411 0.212440
H 3.539088 -0.060434 -1.197157
H 2.198646 0.866503 1.278454
H 4.589309 -2.056213 -0.090966
H 3.636912 -1.746405 1.395131
H 2.804456 -2.185966 -0.134767
H 4.625668 1.766425 0.164182
H 5.670217 0.313463 0.127607
H 4.712077 0.675139 1.587343


