%chk=000168889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168889

0 1
 O   -1.662400      0.6221000     -0.4577000    
 N    1.165800       1.886800     -0.2058000    
 N    2.470400       1.784000     -0.5207000    
 N    1.066300     -0.3434000      0.6474000    
 N    4.432600      -1.838400      0.2909000    
 C   0.5161000      0.8094000      0.3703000    
 C    3.155400      0.5893000     -0.2636000    
 C    2.437700     -0.4706000      0.3235000    
 C  -0.9448000      0.9913000      0.6949000    
 C    4.503100      0.4257000     -0.5672000    
 C    3.123700      -1.649600      0.5748000    
 C   -2.941600      0.1443000     -0.2804000    
 C    5.086700     -0.7965000     -0.2721000    
 C   -3.692900      0.5913000      0.7963000    
 C   -3.456500     -0.7757000      -1.181500    
 C   -4.988700      0.1075000      0.9759000    
 C   -4.752400      -1.259500      -1.001900    
 C   -5.518500     -0.8180000      7.6800004E-02
 H   -1.138300       2.040400      0.9440000    
 H   -1.174100      0.3536000       1.558400    
 H   0.6909000       2.760500     -0.4079000    
 H    2.949600       2.570100     -0.9399000    
 H    5.084900       1.221600      -1.019300    
 H    2.627600      -2.503600       1.025500    
 H    6.134900     -0.9756000     -0.4890000    
 H   -3.324700       1.328800       1.502500    
 H   -2.862100      -1.121400      -2.022200    
 H   -5.587800      0.4554000       1.812500    
 H   -5.164900      -1.980000      -1.702200    
 H   -6.528000      -1.193600      0.2158000    


%chk=000168889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168889

0 1
O -1.651202 0.057658 -0.343118
N 0.832493 0.831991 -0.773342
N 2.174765 1.121821 -1.210636
N 1.539711 -0.199785 1.286968
N 5.217823 -0.855031 1.062510
C 0.605758 0.252234 0.470919
C 3.201251 0.431464 -0.476645
C 2.872933 -0.189831 0.768104
C -0.849091 0.149330 0.886650
C 4.531074 0.392416 -0.935981
C 3.915445 -0.823723 1.481582
C -3.055151 0.019657 -0.207542
C 5.502567 -0.246633 -0.125757
C -3.729333 0.014220 1.037017
C -3.780114 -0.021258 -1.422786
C -5.143455 -0.028547 1.051480
C -5.188057 -0.064495 -1.389776
C -5.878908 -0.067001 -0.152862
H -1.143400 1.050792 1.463022
H -0.974578 -0.747171 1.519356
H 0.137299 0.692251 -1.511145
H 2.321994 2.139232 -1.269876
H 4.808727 0.847272 -1.892225
H 3.686170 -1.306524 2.437251
H 6.551924 -0.275846 -0.440070
H -3.180831 0.035324 1.983281
H -3.231176 -0.021912 -2.369703
H -5.666716 -0.033772 2.014075
H -5.747006 -0.097065 -2.331403
H -6.972918 -0.100869 -0.131248


