%chk=000006861.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006861

0 1
 O    2.523600      0.2191000       1.446200    
 N    3.956900       1.092500     -0.1240000    
 C  -0.5277000      0.1536000     -0.2606000    
 C   0.6382000     -0.5942000     -0.4927000    
 C   -1.714600     -0.5158000      0.1218000    
 C    1.927200      5.0900001E-02 -0.8998000    
 C   0.6341000      -1.982000     -0.3499000    
 C  -0.5418000       1.551000     -0.3997000    
 C   -1.700500      -1.913200      0.2608000    
 C   -2.880600      0.2319000      0.3537000    
 C  -0.5331000      -2.640300      2.6000001E-02
 C   -1.709200       2.278000     -0.1654000    
 C   -2.876400       1.619700      0.2106000    
 C    2.803900      0.4488000      0.2731000    
 H    2.508400     -0.6584000      -1.506500    
 H    1.774900      0.9073000      -1.564700    
 H    1.534600      -2.564900     -0.5253000    
 H   0.3402000       2.121400     -0.6741000    
 H   -2.601100      -2.448700      0.5540000    
 H   -3.804300     -0.2617000      0.6487000    
 H  -0.5356000      -3.720600      0.1379000    
 H   -1.706400       3.358900     -0.2727000    
 H   -3.784600       2.186400      0.3938000    
 H    4.170700       1.269600      -1.100300    
 H    4.636500       1.413100      0.5576000    


%chk=000006861-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006861

0 1
O 2.916359 -0.045454 1.391497
N 3.471083 1.637691 -0.103620
C -0.417037 0.067761 -0.264277
C 0.713436 -0.797397 -0.515633
C -1.690114 -0.523679 0.103968
C 2.063064 -0.227133 -0.924067
C 0.559317 -2.181561 -0.380437
C -0.337980 1.497986 -0.361506
C -1.799404 -1.948287 0.225580
C -2.818325 0.328722 0.344066
C -0.692239 -2.762576 -0.008019
C -1.453821 2.303813 -0.120676
C -2.708348 1.715923 0.232996
C 2.832060 0.450600 0.234796
H 2.708244 -1.053592 -1.276518
H 1.954407 0.477605 -1.771005
H 1.420371 -2.836468 -0.557033
H 0.617152 1.970780 -0.613032
H -2.764885 -2.384788 0.507916
H -3.774793 -0.131304 0.620613
H -0.773173 -3.850407 0.090842
H -1.370114 3.393719 -0.197163
H -3.576570 2.357366 0.419743
H 3.422263 2.037566 -1.038887
H 4.032347 2.105513 0.608356


