%chk=000102466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102466

0 1
 O    1.289100       2.078900     -0.7149000    
 O    2.885100      -1.124000      0.8027000    
 O   -1.875800     -0.1440000       1.451800    
 O    2.151800     -0.8622000      -1.331900    
 N  -0.3213000     -0.1661000     -0.2736000    
 N   -3.907800      4.8599999E-02 -0.3851000    
 C   0.8587000      6.2399998E-02  0.5294000    
 C    1.151200       1.558500      0.6030000    
 C   -1.599500     -0.2509000      0.2589000    
 C    2.007500     -0.6746000     -0.1322000    
 C   -2.638900     -0.5265000     -0.8082000    
 H   0.6888000     -0.3484000       1.530800    
 H   0.3422000       2.101600       1.102700    
 H    2.083900       1.751900       1.141900    
 H  -0.2010000     -0.2662000      -1.277900    
 H   -2.734000      -1.609100     -0.9354000    
 H   -2.342800     -8.7600000E-02  -1.765800    
 H   0.4469000       1.928400      -1.177100    
 H   -3.802400       1.051700     -0.2385000    
 H   -4.186700     -0.3474000      0.5116000    
 H    3.636100      -1.607100      0.3966000    


%chk=000102466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102466

0 1
O 1.523999 2.135904 -0.536969
O 3.154131 -0.736946 0.653813
O -1.819454 0.362043 1.341689
O 1.977858 -1.329945 -1.261779
N -0.322780 -0.211179 -0.340080
N -4.086831 -0.042259 -0.383267
C 0.859691 -0.030011 0.513278
C 1.204085 1.474459 0.726623
C -1.605632 -0.061393 0.165069
C 2.020030 -0.767142 -0.144292
C -2.752243 -0.472826 -0.798671
H 0.673114 -0.463887 1.515889
H 0.346779 1.947399 1.242234
H 2.110343 1.561701 1.344362
H -0.157585 -0.657603 -1.249901
H -2.738993 -1.578232 -0.881197
H -2.539315 -0.084870 -1.813361
H 0.718591 2.112449 -1.114541
H -4.216439 0.974079 -0.436947
H -4.328601 -0.376189 0.556755
H 3.910350 -1.187652 0.190092


