%chk=000017817.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017817

0 1
 O   0.4031000       2.304300      0.5701000    
 N   -3.733700      -1.172500       1.644600    
 C   -1.002600      0.5598000     -0.1019000    
 C    1.564200      0.3315000      8.9900002E-02
 C   0.3481000       1.120300      0.2054000    
 C   -1.714800     -3.4899998E-02  0.9135000    
 C   -1.479400      0.6620000      -1.387900    
 C   -2.976000     -0.5574000      0.6262000    
 C    1.495600     -0.9996000     -0.3213000    
 C    2.799400      0.9059000      0.3900000    
 C   -2.740400      0.1397000      -1.675200    
 C   -3.488700     -0.4699000     -0.6681000    
 C    2.662100      -1.756400     -0.4322000    
 C    3.965900      0.1491000      0.2790000    
 C    3.897100      -1.182000     -0.1322000    
 H   -1.308200     -9.8099999E-02   1.919200    
 H  -0.9003000       1.136100      -2.174300    
 H   0.5562000      -1.486400     -0.5647000    
 H    2.880500       1.940600      0.7124000    
 H   -3.139700      0.2079000      -2.682900    
 H   -4.470200     -0.8727000     -0.9046000    
 H    2.609200      -2.792900     -0.7524000    
 H    4.927800      0.5960000      0.5126000    
 H    4.805400      -1.771200     -0.2187000    
 H   -3.361300      -1.238800       2.582500    
 H   -4.646800      -1.553700       1.436000    


%chk=000017817-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017817

0 1
O 0.407702 1.172782 1.989734
N -4.461771 -0.351733 1.550598
C -0.960737 0.116253 0.313511
C 1.650163 0.055084 0.263751
C 0.365445 0.489511 0.916432
C -2.073835 0.037216 1.183691
C -1.135256 -0.076840 -1.085133
C -3.370800 -0.258995 0.686692
C 1.761588 -1.151975 -0.478506
C 2.811535 0.845943 0.477940
C -2.427514 -0.354284 -1.583511
C -3.534306 -0.456777 -0.718158
C 3.010215 -1.551842 -1.003768
C 4.052572 0.455140 -0.062066
C 4.155386 -0.746398 -0.805483
H -1.910195 0.224205 2.251478
H -0.289929 0.030104 -1.770583
H 0.882250 -1.789312 -0.616150
H 2.715560 1.757050 1.077819
H -2.576684 -0.487910 -2.660949
H -4.529178 -0.681090 -1.122855
H 3.090664 -2.491279 -1.561809
H 4.939612 1.077929 0.097733
H 5.122041 -1.054954 -1.219552
H -4.348868 -0.193397 2.547485
H -5.393160 -0.547729 1.196662


