%chk=000085906.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085906

0 1
 O   -1.209600      0.7809000      0.1047000    
 N   -2.593400      0.5729000      0.5294000    
 N    2.751600       1.044100     -0.9675000    
 C  -0.9743000      -1.523300     -0.5554000    
 C  -0.4721000     -0.4181000      0.3842000    
 C   -2.493300      -1.663400     -0.4406000    
 C   -3.182100     -0.2968000     -0.4955000    
 C    1.004500     -0.1534000      0.1927000    
 C   -3.186500       1.904700      0.4954000    
 C    1.954000     -0.8233000      0.9535000    
 C    1.448200      0.7620000     -0.7458000    
 C    3.304800     -0.5601000      0.7545000    
 C    3.648300      0.3739000     -0.2096000    
 H  -0.4855000      -2.479900     -0.3386000    
 H  -0.7340000      -1.265400      -1.595400    
 H  -0.6443000     -0.6938000       1.434300    
 H   -2.870700      -2.306800      -1.243100    
 H   -2.738100      -2.157500      0.5083000    
 H   -3.073800      0.1353000      -1.498800    
 H   -4.252800     -0.4333000     -0.3044000    
 H   -3.084700       2.383600     -0.4853000    
 H   -2.707700       2.548100       1.241500    
 H   -4.250900       1.856700      0.7488000    
 H    1.655100      -1.552600       1.701200    
 H   0.7624000       1.312500      -1.381900    
 H    4.064700      -1.070400       1.335100    
 H    4.688300      0.6149000     -0.4036000    


%chk=000085906-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085906

0 1
O -1.185683 0.803405 0.172666
N -2.645492 0.556891 0.553940
N 2.792003 0.906431 -1.096198
C -0.992333 -1.523484 -0.630388
C -0.462400 -0.475148 0.383072
C -2.526989 -1.669859 -0.507791
C -3.215020 -0.289820 -0.538778
C 1.012616 -0.178319 0.206381
C -3.214575 1.922821 0.581009
C 1.981775 -0.734412 1.074670
C 1.474167 0.638275 -0.860046
C 3.350856 -0.474166 0.843612
C 3.708484 0.345277 -0.251159
H -0.490128 -2.494484 -0.458846
H -0.721681 -1.187533 -1.650294
H -0.669579 -0.822638 1.416948
H -2.917121 -2.302398 -1.326830
H -2.780054 -2.166372 0.448696
H -3.085532 0.196233 -1.534028
H -4.297631 -0.393917 -0.334552
H -3.135045 2.447632 -0.396845
H -2.683851 2.510301 1.346185
H -4.278812 1.840312 0.865123
H 1.668767 -1.357737 1.920909
H 0.757471 1.112246 -1.539116
H 4.124756 -0.889324 1.497021
H 4.759132 0.571289 -0.467260


