%chk=000113822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113822

0 1
 O  -0.6102000       2.413600     -0.8605000    
 N    1.369700       1.448800     -6.3900001E-02
 N    3.620500      0.8387000      0.4236000    
 C  -0.8086000      0.7016000      0.8115000    
 C  -1.5300000E-02   1.193600     -0.4142000    
 C   -2.114900      8.2400002E-02  0.4443000    
 C   -3.261400      0.8723000      0.3586000    
 C   -2.190100      -1.286400      0.1863000    
 C    2.377100      0.4984000     -3.2000002E-02
 C   -4.483100      0.2934000      1.5000000E-02
 C   -3.411800      -1.865100     -0.1574000    
 C   -4.558200      -1.075200     -0.2430000    
 C    2.083200     -0.7977000     -0.4728000    
 C    3.083600      -1.763200     -0.4458000    
 C    4.567300     -0.1262000      0.4350000    
 C    4.352100      -1.429100      1.5400000E-02
 H  -0.2220000     -3.2900002E-02   1.378800    
 H  -0.9820000       1.535500       1.505400    
 H  -0.1033000      0.5083000      -1.262900    
 H    1.609000       2.373700      0.2750000    
 H   -3.217100       1.939900      0.5570000    
 H   -1.304100      -1.912700      0.2478000    
 H   -5.375800      0.9083000     -5.1800001E-02
 H   -3.470400      -2.930800     -0.3589000    
 H  -1.2100000E-02   2.784700      -1.531100    
 H   -5.509400      -1.525900     -0.5108000    
 H    1.107800      -1.103700     -0.8314000    
 H    2.875300      -2.774800     -0.7813000    
 H    5.539100      0.1852000      0.8037000    
 H    5.147100      -2.165400      4.6000000E-02


%chk=000113822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113822

0 1
O -0.254516 1.605288 -0.863028
N 1.306068 0.596895 0.726031
N 3.621271 0.473617 0.932172
C -1.124876 0.571749 1.136712
C 0.007079 0.494237 0.089884
C -2.481571 0.115265 0.615911
C -3.184050 0.862237 -0.366201
C -3.069182 -1.076186 1.112952
C 2.511298 0.134786 0.197056
C -4.441091 0.423950 -0.837895
C -4.327198 -1.517636 0.641008
C -5.018209 -0.767162 -0.336983
C 2.601554 -0.632218 -1.005172
C 3.873140 -1.061765 -1.430217
C 4.836488 0.045242 0.494580
C 5.023247 -0.725191 -0.674986
H -0.826382 -0.053772 1.997208
H -1.173646 1.623519 1.481878
H -0.045627 -0.470420 -0.452164
H 1.412100 1.218973 1.532355
H -2.727586 1.774419 -0.762563
H -2.540673 -1.660814 1.876659
H -4.972244 1.011896 -1.595376
H -4.766469 -2.440108 1.037778
H 0.447300 1.598557 -1.563735
H -5.995024 -1.103905 -0.702492
H 1.711110 -0.894456 -1.584619
H 3.965446 -1.654196 -2.347157
H 5.690327 0.339241 1.116338
H 6.023916 -1.042742 -0.980334


