%chk=000080365.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080365

0 1
 O   0.7101000       1.638300     -2.7999999E-03
 N    2.079700     -0.2335000      4.9999999E-03
 C   -1.699100      0.2946000     -2.6300000E-02
 C  -0.3879000     -0.4930000     -1.6600000E-02
 C   -2.908900     -0.6389000     -6.9999998E-04
 C   0.8380000      0.4109000     -4.6000001E-03
 C   -4.213800      0.1406000      2.7400000E-02
 C    2.280600      -1.680700      3.3000000E-03
 C    3.301400      0.5617000      1.5200000E-02
 H   -1.741800      0.9320000     -0.9183000    
 H   -1.733300      0.9638000      0.8426000    
 H  -0.3442000      -1.127700     -0.9088000    
 H  -0.3572000      -1.127600      0.8764000    
 H   -2.860600      -1.287600      0.8817000    
 H   -2.895700      -1.289400     -0.8829000    
 H   -4.308700      0.7783000     -0.8573000    
 H   -4.272500      0.7758000      0.9171000    
 H   -5.065500     -0.5465000      4.3900002E-02
 H    2.848400      -1.953200      0.8980000    
 H    2.857400      -1.949800     -0.8866000    
 H    1.349500      -2.246300     -2.4000001E-03
 H    3.091600       1.634100      1.6200000E-02
 H    3.888200      0.3168000     -0.8750000    
 H    3.875900      0.3127000      0.9123000    


%chk=000080365-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080365

0 1
O 0.750201 1.643620 0.006062
N 2.107070 -0.243621 0.001048
C -1.701101 0.276473 0.003647
C -0.388561 -0.532759 0.003246
C -2.949926 -0.632999 0.005011
C 0.854471 0.375255 0.003170
C -4.267711 0.171879 0.004061
C 2.337226 -1.693570 -0.001197
C 3.319932 0.591711 0.000384
H -1.718379 0.943801 -0.878299
H -1.716977 0.945085 0.884553
H -0.364752 -1.198088 -0.884435
H -0.364409 -1.198281 0.890821
H -2.923962 -1.297288 0.893915
H -2.924093 -1.299690 -0.882091
H -4.332218 0.821861 -0.888746
H -4.332566 0.823502 0.895632
H -5.150898 -0.493200 0.004471
H 2.919678 -1.997270 0.891816
H 2.911816 -1.996249 -0.899679
H 1.390068 -2.249690 0.002780
H 3.008626 1.647212 0.002464
H 3.932592 0.390217 -0.900038
H 3.935474 0.387487 0.898205


