%chk=000095298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095298

0 1
 O    1.876600     -0.6393000      0.3993000    
 O    2.180300       1.251800     -0.8826000    
 N  -0.3895000       3.513900     -0.1226000    
 C   0.2210000       1.037700      0.5658000    
 C  -0.9040000      0.1165000      0.2338000    
 C   -1.907200     -0.1258000       1.172300    
 C  -0.9535000     -0.5024000      -1.015400    
 C    1.532900      0.5966000     -7.5400002E-02
 C   -2.959500     -0.9872000      0.8620000    
 C   -2.006000      -1.363600      -1.325700    
 C    3.099600      -1.179000     -0.1118000    
 C   -3.008900      -1.606000     -0.3870000    
 C  -0.1162000       2.427300      0.1801000    
 C    3.334500      -2.540400      0.5072000    
 H   0.4064000       1.029100       1.649100    
 H   -1.881800      0.3506000       2.148800    
 H  -0.1975000     -0.3212000      -1.774400    
 H   -3.740800      -1.175500       1.592500    
 H   -2.047000      -1.842600      -2.299600    
 H    3.028700      -1.275000      -1.201000    
 H    3.928600     -0.5090000      0.1416000    
 H   -3.828900      -2.275700     -0.6292000    
 H    4.263200      -2.983500      0.1371000    
 H    3.389400      -2.463400       1.598100    
 H    2.504000      -3.216200      0.2779000    


%chk=000095298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095298

0 1
O 2.089181 -0.605927 0.605178
O 1.799276 0.327024 -1.517279
N 0.104925 3.469259 -0.399906
C 0.257783 0.916596 0.354359
C -1.025994 0.125296 0.033099
C -1.520584 -0.807381 0.975532
C -1.684924 0.289310 -1.209083
C 1.462989 0.215758 -0.322306
C -2.673541 -1.568931 0.680186
C -2.837690 -0.472013 -1.500738
C 3.227021 -1.438003 0.084856
C -3.334808 -1.402320 -0.558319
C 0.178834 2.325340 -0.073512
C 3.762597 -2.237625 1.266143
H 0.434236 0.891661 1.444192
H -1.008125 -0.938631 1.935927
H -1.300199 1.009182 -1.940153
H -3.055663 -2.285384 1.415528
H -3.347407 -0.338682 -2.461042
H 2.834963 -2.079452 -0.724614
H 3.979102 -0.753436 -0.346144
H -4.230885 -1.990052 -0.785990
H 4.603663 -2.872444 0.933101
H 4.128463 -1.569134 2.063852
H 2.981188 -2.892310 1.688035


