%chk=000076045.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076045

0 1
 O   -3.406200     -0.8126000       1.000700    
 N    2.889500      0.3066000     -5.1000002E-03
 N   -1.019200     -0.8800000     -0.3609000    
 N   -1.885900      0.1521000     -0.4638000    
 C    2.440900      -1.022700      0.4440000    
 C    1.789300       1.284100      6.1900001E-02
 C    1.315600      -1.558400     -0.4386000    
 C   0.6255000      0.8789000     -0.8409000    
 C   0.2156000     -0.5344000     -0.5195000    
 C    4.021500      0.7603000      0.8036000    
 C   -3.062400      0.1032000      0.2560000    
 C   -3.924000       1.322800      6.2600002E-02
 H    2.102700     -0.9810000       1.488200    
 H    3.275700      -1.732600      0.3989000    
 H    2.149100       2.267000     -0.2664000    
 H    1.434800       1.393600       1.095800    
 H   0.9260000      -2.498000     -3.3500001E-02
 H    1.678100      -1.748500      -1.455300    
 H   0.9346000      0.9030000      -1.893000    
 H  -0.1343000       1.647200     -0.7030000    
 H    4.387700       1.728300      0.4440000    
 H    4.859000      5.8699999E-02  0.7206000    
 H    3.759800      0.8619000       1.863000    
 H   -1.718500      0.8756000      -1.152400    
 H   -3.865100       1.681500     -0.9689000    
 H   -3.587100       2.112000      0.7401000    
 H   -4.965600       1.073700      0.2838000    


%chk=000076045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076045

0 1
O -3.731854 -1.106832 0.607617
N 3.023451 0.247897 -0.018816
N -1.025261 -0.678241 -0.069754
N -2.017148 0.294702 -0.188973
C 2.471080 -1.001154 0.558503
C 2.026005 1.339077 0.000130
C 1.244550 -1.477610 -0.257112
C 0.780979 0.964503 -0.848228
C 0.215869 -0.372195 -0.384505
C 4.302581 0.644224 0.602739
C -3.348377 0.003169 0.160808
C -4.301292 1.180662 -0.058092
H 2.169681 -0.860665 1.628963
H 3.257733 -1.777261 0.533239
H 2.493539 2.249932 -0.417745
H 1.693204 1.580047 1.044301
H 0.775328 -2.357345 0.214123
H 1.597463 -1.766715 -1.267136
H 1.100181 0.870554 -1.904498
H 0.055445 1.798648 -0.791348
H 4.707310 1.534680 0.088938
H 5.035624 -0.174807 0.494219
H 4.213006 0.884045 1.692400
H -1.803752 1.236037 -0.543575
H -3.811700 2.094504 -0.439416
H -4.800773 1.417141 0.896978
H -5.085773 0.875301 -0.771862


