%chk=000099567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099567

0 1
 O   9.2100002E-02   1.138700      -1.453800    
 O  -0.1138000       1.274900       1.384900    
 O    2.646000      0.9431000     -0.7820000    
 O   -2.657400      0.9975000      0.6834000    
 N    2.324800      -1.054400      0.3577000    
 N   -2.307700      -1.091000     -0.2721000    
 N    3.662400      -1.187600      0.6695000    
 N   -3.635100      -1.251300     -0.6124000    
 C   0.4079000      2.2200000E-02 -0.6335000    
 C  -0.4158000      9.2900001E-02  0.6577000    
 C    1.910900      4.7100000E-02 -0.3732000    
 C   -1.914300      6.8000004E-02  0.3739000    
 H   0.1849000     -0.8808000      -1.211200    
 H  -0.1866000     -0.7587000       1.308700    
 H   0.2205000       1.944200     -0.9240000    
 H  -0.5703000       1.216800       2.241700    
 H    1.691400      -1.791400      0.6505000    
 H   -1.667600      -1.850400     -0.4809000    
 H    3.722500      -1.272700       1.683300    
 H    3.965800      -2.085000      0.2936000    
 H   -3.664200      -1.422200      -1.616700    
 H   -3.951600      -2.113800     -0.1711000    


%chk=000099567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099567

0 1
O -0.078121 0.467222 -1.487002
O 0.031762 0.341777 1.712642
O 2.449090 0.796653 -0.830940
O -2.525520 0.594782 1.138137
N 2.575242 -1.021219 0.618317
N -2.569477 -1.020873 -0.538221
N 3.910663 -0.771680 1.038223
N -3.917894 -0.779096 -0.922255
C 0.423922 -0.537434 -0.570468
C -0.442749 -0.602744 0.720714
C 1.906775 -0.195630 -0.252456
C -1.938408 -0.287489 0.437544
H 0.396547 -1.530121 -1.072775
H -0.384099 -1.632075 1.141228
H 0.677716 1.113282 -1.629512
H -0.755094 0.922079 1.940993
H 2.070302 -1.707000 1.182284
H -2.029005 -1.574948 -1.204853
H 3.994238 0.180555 1.423444
H 4.563729 -0.910115 0.255470
H -4.053981 0.216750 -1.150050
H -4.560836 -1.076576 -0.176465


