%chk=000052345.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052345

0 1
 O   -1.986700       2.297200       1.741800    
 N  -0.2413000       2.153100      -2.219400    
 C  -0.8126000      0.9501000      6.8999998E-02
 C   0.3999000       1.121900       1.045500    
 C   -1.167400     -0.5390000     -7.4600004E-02
 C    1.706900      0.4901000      0.6109000    
 C   -2.034200       1.717900      0.6541000    
 C   -1.154300      -1.093700      -1.330000    
 C   -1.480800      -1.246500       1.059000    
 C  -0.4897000       1.620000      -1.218400    
 C    1.979700     -0.8148000      0.9797000    
 C    2.595800       1.233000     -0.1448000    
 C   -3.310800       1.758500     -0.1610000    
 C   -1.475900      -2.444600      -1.460400    
 C   -1.802200      -2.597600      0.9284000    
 C   -1.799700      -3.196600     -0.3313000    
 C    3.182600      -1.396500      0.5795000    
 C    3.798700      0.6511000     -0.5451000    
 C    4.092000     -0.6637000     -0.1829000    
 H   0.5868000       2.196000       1.201100    
 H   0.1556000      0.7552000       2.052200    
 H  -0.9100000     -0.5557000      -2.237500    
 H   -1.501800     -0.7952000       2.045200    
 H    1.294700      -1.392700       1.590600    
 H    2.382600       2.259800     -0.4268000    
 H   -3.642900      0.7471000     -0.4040000    
 H   -4.098000       2.239900      0.4274000    
 H   -3.160300       2.338500      -1.073900    
 H   -1.474100      -2.911900      -2.441000    
 H   -2.057400      -3.182500       1.807200    
 H   -2.050500      -4.248300     -0.4329000    
 H    3.413300      -2.418600      0.8655000    
 H    4.507900       1.222200      -1.137200    
 H    5.029200      -1.116200     -0.4933000    


%chk=000052345-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052345

0 1
O -2.169468 1.838345 1.964462
N -0.266940 2.078965 -2.221930
C -0.826506 0.929058 0.118597
C 0.398225 1.130772 1.098041
C -1.198177 -0.570224 -0.034041
C 1.701486 0.524768 0.603025
C -2.104265 1.641792 0.727965
C -1.046261 -1.259075 -1.261056
C -1.684233 -1.272670 1.099892
C -0.517136 1.544093 -1.185065
C 2.038308 -0.822536 0.895173
C 2.613601 1.303098 -0.155854
C -3.221004 2.012834 -0.226184
C -1.370112 -2.631697 -1.352577
C -2.008449 -2.642985 1.004918
C -1.852294 -3.328629 -0.222313
C 3.252976 -1.379136 0.436848
C 3.828890 0.749632 -0.616405
C 4.152895 -0.594650 -0.321268
H 0.514044 2.217804 1.261199
H 0.095903 0.697382 2.065996
H -0.664425 -0.731245 -2.141790
H -1.818187 -0.749878 2.053979
H 1.346326 -1.436658 1.483414
H 2.370142 2.346971 -0.388481
H -3.437598 1.183405 -0.922943
H -4.125353 2.279504 0.341359
H -2.914550 2.877375 -0.845357
H -1.240118 -3.154743 -2.306296
H -2.385628 -3.172809 1.886538
H -2.104086 -4.392228 -0.296232
H 3.498671 -2.420502 0.673826
H 4.521266 1.365840 -1.200727
H 5.097157 -1.024471 -0.674115


