%chk=000077597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077597

0 1
 O   -4.159200      0.1839000      7.4400000E-02
 N  -0.5204000     -0.3138000     -0.2270000    
 N    2.274600      0.1470000      0.3129000    
 N    3.606200      0.3993000     -0.1576000    
 C  -5.0000001E-02  0.9640000      0.3232000    
 C   0.3696000      -1.409200      0.1794000    
 C    1.395000       1.244500     -0.1065000    
 C    1.814500      -1.127000     -0.2494000    
 C   -1.896100     -0.5820000      0.1876000    
 C   -2.834100      0.4933000     -0.3369000    
 H  -0.1206000      0.9725000       1.419300    
 H  -0.6346000       1.807600     -5.4800000E-02
 H   4.6799999E-02  -2.344400     -0.2941000    
 H   0.3304000      -1.562600       1.266400    
 H    1.432400       1.392900      -1.195200    
 H    1.722600       2.181600      0.3612000    
 H    2.447600      -1.947300      0.1118000    
 H    1.874700      -1.127900      -1.347200    
 H   -1.986400     -0.6563000       1.279700    
 H   -2.228800      -1.550100     -0.2091000    
 H   -2.812000      0.5403000      -1.430800    
 H   -2.621400       1.484400      6.9100000E-02
 H    4.230600     -0.3344000      0.1748000    
 H    3.636600      0.3675000      -1.176200    
 H   -4.740200      0.8749000     -0.2872000    


%chk=000077597-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077597

0 1
O -4.262432 0.111274 0.013886
N -0.537845 -0.217231 -0.090255
N 2.329382 0.084584 0.210589
N 3.672359 0.362550 -0.240383
C 0.055293 0.995343 0.531686
C 0.333315 -1.391707 0.161055
C 1.459087 1.262357 -0.035378
C 1.743923 -1.140411 -0.400711
C -1.946015 -0.446390 0.314919
C -2.914912 0.427168 -0.493442
H 0.130706 0.882474 1.642794
H -0.590239 1.867354 0.322926
H -0.106001 -2.276594 -0.335427
H 0.422144 -1.615884 1.254287
H 1.373312 1.482672 -1.128448
H 1.923723 2.131180 0.459005
H 2.398488 -1.998586 -0.160284
H 1.681509 -1.043098 -1.515090
H -2.114102 -0.260957 1.403177
H -2.205100 -1.503633 0.123157
H -2.815862 0.182099 -1.570521
H -2.685704 1.504898 -0.353111
H 4.357447 -0.150469 0.324706
H 3.810258 0.218667 -1.258512
H -4.934936 0.631040 -0.492824


