%chk=000160464.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160464

0 1
 O    4.618200     -0.1280000     -0.3224000    
 O    3.043200      -1.417200      0.6892000    
 N   -1.941900     -5.1100001E-02 -0.3578000    
 N   -3.688800      -1.554400     -0.6036000    
 N   -4.055800      0.2475000      0.7430000    
 C   0.9536000      0.3783000      0.1610000    
 C  -3.7900001E-02   1.480300     -0.2317000    
 C    2.369300      0.6662000     -0.3313000    
 C   -1.454300       1.187200      0.2515000    
 C    3.350800     -0.4049000      7.3500000E-02
 C   -3.156400     -0.4038000     -7.1500003E-02
 H   0.6249000     -0.5855000     -0.2467000    
 H   0.9597000      0.2685000       1.253000    
 H   0.2932000       2.436800      0.1898000    
 H  -4.0399998E-02   1.591100      -1.323100    
 H    2.374700      0.7351000      -1.424700    
 H    2.716900       1.617900      8.5699998E-02
 H   -1.453400       1.102400       1.345000    
 H   -2.095600       2.030500     -3.2299999E-02
 H    5.247300     -0.8317000     -5.5199999E-02
 H   -3.145800      -2.143800      -1.225300    
 H   -4.636600      -1.847100     -0.3930000    
 H   -4.987200     -0.1244000      0.8952000    
 H   -3.826700       1.112500       1.219400    


%chk=000160464-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160464

0 1
O 4.551988 -0.320192 -0.690959
O 3.355270 -1.085288 1.142963
N -1.952198 -0.087934 -0.223643
N -3.731454 -1.514120 -0.797442
N -4.178949 0.242699 0.695481
C 0.968861 0.391246 0.271548
C -0.045259 1.472038 -0.155267
C 2.352807 0.614540 -0.366556
C -1.466314 1.175204 0.369413
C 3.410052 -0.348681 0.134179
C -3.216066 -0.414384 -0.089900
H 0.565595 -0.595148 -0.019748
H 1.069603 0.378908 1.374113
H 0.280849 2.466973 0.214268
H -0.092073 1.527403 -1.260915
H 2.306539 0.537858 -1.468975
H 2.721629 1.639867 -0.153138
H -1.420092 1.108878 1.483249
H -2.132052 2.037919 0.123297
H 5.232590 -0.944623 -0.318034
H -3.058871 -1.971807 -1.411299
H -4.436481 -2.102478 -0.354551
H -5.168580 0.162116 0.473364
H -3.886394 0.991407 1.316250


