%chk=000044915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044915

0 1
 O    2.484700     -0.6113000      0.9405000    
 N   -2.508000      0.6356000      0.4042000    
 N    3.214000      0.9723000     -0.5602000    
 C  -0.2402000     -0.2849000      0.2222000    
 C   -1.629000     -0.1311000     -0.4323000    
 C  -0.2832000      -1.764200     -0.2148000    
 C   -1.821300      -1.644200     -0.1999000    
 C   0.8467000      0.5440000     -0.4134000    
 C    2.245400      0.2249000      7.4199997E-02
 C   -2.308900       2.058900      0.1796000    
 H  -0.2504000     -0.1823000       1.318000    
 H   -1.627300      0.1337000      -1.497600    
 H   0.1389000      -2.482600      0.4929000    
 H   0.1283000      -1.964100      -1.211300    
 H   -2.341100      -2.184200     -0.9963000    
 H   -2.264800      -1.925500      0.7636000    
 H   0.6762000       1.607300     -0.2105000    
 H   0.8401000      0.4242000      -1.504500    
 H   -3.493500      0.4187000      0.2542000    
 H   -3.038800       2.621900      0.7708000    
 H   -2.453800       2.330900     -0.8712000    
 H   -1.318800       2.388400      0.5052000    
 H    2.989200       1.658600      -1.273500    
 H    4.195300      0.8587000     -0.3294000    


%chk=000044915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044915

0 1
O 2.425061 0.636397 1.438260
N -2.648536 0.586116 0.406410
N 3.298247 0.331086 -0.687638
C -0.179014 -0.171554 0.133572
C -1.651963 -0.105727 -0.416128
C -0.133409 -1.683931 -0.284450
C -1.698744 -1.669202 -0.379140
C 0.872048 0.781691 -0.462476
C 2.247859 0.579850 0.185660
C -2.558481 2.057744 0.398724
H -0.191953 -0.068632 1.233022
H -1.632800 0.261202 -1.476479
H 0.322388 -2.385794 0.431379
H 0.341116 -1.826291 -1.273321
H -2.162840 -2.185896 -1.235187
H -2.166794 -2.012843 0.559959
H 0.571514 1.829294 -0.263825
H 0.921940 0.656048 -1.562043
H -3.600292 0.247282 0.213832
H -3.395383 2.484852 0.979014
H -2.574977 2.512531 -0.623745
H -1.621449 2.377237 0.890468
H 3.163702 0.275483 -1.695087
H 4.232461 0.196757 -0.300282


