%chk=000086578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086578

0 1
 O  -0.7301000       1.678400      0.4568000    
 O    2.952100     -0.3213000     -0.1519000    
 N   0.9128000      0.5475000     -0.7278000    
 N    1.080000      -1.193400      0.8381000    
 C   -1.160300     -0.6605000     -0.1004000    
 C  -0.5214000      0.6750000     -0.5315000    
 C  -0.3516000      -1.199700       1.091200    
 C   -1.138100      -1.668600      -1.267200    
 C   -2.623200     -0.4583000      0.3331000    
 C    1.726700     -0.3161000     -1.5300000E-02
 C  -0.1469000       2.917000      7.4800000E-02
 H  -0.9589000       1.011700      -1.479900    
 H  -0.5082000     -0.5892000       1.988300    
 H  -0.6371000      -2.228100       1.338900    
 H  -0.1229000      -1.873200      -1.622500    
 H   -1.578200      -2.626300     -0.9664000    
 H   -1.715100      -1.292200      -2.119400    
 H   -2.704000      0.2082000       1.198500    
 H   -3.216200     -2.3900000E-02 -0.4794000    
 H   -3.085700      -1.411800      0.6125000    
 H    1.361400       1.182700      -1.380900    
 H    1.655700      -1.829800       1.380900    
 H  -0.4288000       3.196300     -0.9456000    
 H   0.9415000       2.895300      0.1837000    
 H  -0.5271000       3.686900      0.7528000    


%chk=000086578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086578

0 1
O -0.752147 1.655544 0.483028
O 3.012367 -0.446349 -0.253178
N 0.930558 0.449619 -0.824682
N 1.090430 -1.221970 0.828646
C -1.155407 -0.667329 -0.110438
C -0.487911 0.658344 -0.579173
C -0.352402 -1.153172 1.128118
C -1.092917 -1.707359 -1.257412
C -2.625570 -0.420473 0.297029
C 1.755664 -0.406238 -0.073649
C -0.220368 2.985034 0.180114
H -0.953573 1.019567 -1.522884
H -0.546674 -0.458477 1.969806
H -0.702460 -2.160607 1.420908
H -0.055401 -1.950822 -1.541018
H -1.593387 -2.642456 -0.945241
H -1.617182 -1.331432 -2.156063
H -2.696287 0.342325 1.088649
H -3.216066 -0.069514 -0.569759
H -3.085589 -1.359835 0.657481
H 1.430506 1.020348 -1.506057
H 1.698235 -1.821762 1.385955
H -0.622431 3.372680 -0.781050
H 0.886913 2.983296 0.139864
H -0.552502 3.637640 1.002405


