%chk=000017429.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017429

0 1
 O    2.804000      0.3535000     -0.2717000    
 N   0.5918000     -0.2454000      0.2074000    
 C   -2.223500      0.2961000     -4.1200001E-02
 C   -1.181800       1.394200     -0.2579000    
 C   -1.646800      -1.078900     -0.3791000    
 C   0.1035000       1.096900      0.5087000    
 C  -0.3548000      -1.341600      0.3891000    
 C    1.907700     -0.4749000     -0.1552000    
 H   -2.556200      0.3075000       1.003900    
 H   -3.104300      0.4922000     -0.6627000    
 H  -0.9572000       1.467400      -1.329400    
 H   -1.587900       2.362200      5.5100001E-02
 H   -2.381500      -1.858900     -0.1518000    
 H   -1.445100      -1.126900      -1.456500    
 H   0.8678000       1.842700      0.2670000    
 H  -7.5499997E-02   1.143600       1.589300    
 H  -0.5577000      -1.422000       1.463400    
 H   9.1899998E-02  -2.287300      6.4999998E-02
 H    2.103400      -1.543300     -0.3425000    


%chk=000017429-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017429

0 1
O 2.762163 0.431444 -0.382452
N 0.604461 -0.257961 0.255093
C -2.232820 0.299029 -0.054166
C -1.169362 1.405108 -0.263589
C -1.648716 -1.095165 -0.392634
C 0.110640 1.104021 0.549728
C -0.362308 -1.358527 0.425819
C 1.894343 -0.469282 -0.195645
H -2.568062 0.307992 1.004195
H -3.126207 0.500898 -0.674093
H -0.906462 1.471934 -1.337068
H -1.569221 2.390956 0.040554
H -2.388315 -1.889887 -0.177498
H -1.409795 -1.144557 -1.473087
H 0.927489 1.805426 0.309813
H -0.106903 1.181226 1.635863
H -0.628077 -1.450749 1.500642
H 0.118227 -2.305133 0.116848
H 2.096724 -1.549675 -0.387425


