%chk=000122653.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122653

0 1
 O    1.855300     -0.7450000      0.7218000    
 O    1.210000       2.470400     -0.7133000    
 O    3.781300       1.057500      -1.710600    
 O    4.182300      -2.246700       1.225500    
 O   -4.519500      0.4616000      0.2766000    
 N  -0.3655000     -0.2688000      5.6299999E-02
 N   -1.847200      -1.736700     -0.7139000    
 N   -4.672200      -1.594300     -0.7277000    
 C    1.559800       1.098300     -0.7650000    
 C    3.038000      0.8833000     -0.5193000    
 C   0.9360000      0.3111000      0.3819000    
 C    3.060400     -0.5596000     -4.0500000E-02
 C    4.263100     -0.8883000      0.8257000    
 C   -1.596700      0.2792000      0.2913000    
 C  -0.5685000      -1.479500     -0.5493000    
 C   -2.493600     -0.6441000     -0.1925000    
 C   -1.844200       1.535000      0.9060000    
 C   -3.922900     -0.5416000     -0.1841000    
 C   -2.055900       2.608100       1.431000    
 H    1.264800      0.7124000      -1.748700    
 H    3.417300       1.583000      0.2344000    
 H   0.8048000      0.9264000       1.279400    
 H    3.017800      -1.263800     -0.8813000    
 H    4.270600     -0.2756000       1.733200    
 H    5.197500     -0.7360000      0.2769000    
 H   0.2485000       2.531900     -0.8421000    
 H    3.450200      0.4287000      -2.374000    
 H   0.2426000      -2.127100     -0.8534000    
 H    4.961800      -2.429600       1.777300    
 H   -4.232000      -2.421400      -1.118100    
 H   -5.685900      -1.557400     -0.7464000    
 H   -2.241300       3.550200       1.891600    


%chk=000122653-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122653

0 1
O 1.954227 -0.591365 1.164275
O 1.477197 2.781814 0.360329
O 3.421788 1.206055 -1.725177
O 4.070167 -2.602143 0.318151
O -4.454604 0.450053 -0.746325
N -0.320532 -0.305502 0.474651
N -1.744727 -1.966809 -0.092099
N -4.390760 -1.888892 -0.892156
C 1.446659 1.419436 -0.130934
C 2.900165 0.947967 -0.391838
C 0.912407 0.396319 0.935710
C 2.870917 -0.552958 -0.015048
C 4.213335 -1.141223 0.371187
C -1.545199 0.320820 0.150534
C -0.493726 -1.675924 0.319411
C -2.410235 -0.739537 -0.200684
C -1.742631 1.721727 0.219839
C -3.833373 -0.652004 -0.632595
C -1.888524 2.948266 0.291488
H 0.843660 1.333550 -1.060640
H 3.566781 1.510414 0.282941
H 0.702325 0.902276 1.893985
H 2.438471 -1.157032 -0.843092
H 4.486246 -0.788081 1.386876
H 4.970711 -0.787538 -0.360111
H 0.544993 3.128792 0.386344
H 2.826421 0.796845 -2.404901
H 0.299183 -2.387229 0.530433
H 4.893118 -3.031373 0.660585
H -3.818029 -2.726699 -0.772243
H -5.361307 -1.946255 -1.193254
H -2.118426 3.997830 0.343055


