%chk=000167612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167612

1 1
 O   0.7245000       1.733300     -0.5228000    
 N   -3.485100     -7.0500001E-02  9.5299996E-02
 N   0.2042000     -0.5267000     -0.5760000    
 N    6.501300     -0.6906000      0.4915000    
 C   -2.017700     -0.2853000      0.4371000    
 C   -3.986400      -1.236700     -0.7442000    
 C   -4.297400      1.6300000E-02   1.379400    
 C   -3.638900       1.223500     -0.6909000    
 C   -1.200700     -0.3730000     -0.8385000    
 C   -5.445200      -1.017700      -1.080600    
 C   -4.140600      -1.272600       2.156300    
 C   -3.139100       2.378800      0.1486000    
 C    1.064600      0.5561000     -0.4375000    
 C    2.493300      0.2293000     -0.1946000    
 C    3.277000       1.135400      0.4893000    
 C    2.990700     -0.9707000     -0.6594000    
 C    4.618200      0.8280000      0.7184000    
 C    4.331700      -1.278000     -0.4301000    
 C    5.145600     -0.3788000      0.2587000    
 H   -1.913400      -1.250500      0.9424000    
 H   -1.669500      0.4818000       1.134500    
 H   -3.444900      -1.241500      -1.694600    
 H   -3.790700      -2.187700     -0.2431000    
 H   -3.880100      0.8094000       2.006100    
 H   -5.337300      0.2728000       1.163600    
 H   -4.704400       1.404600     -0.8595000    
 H   -3.158500       1.148100      -1.668800    
 H   -1.293700      0.5095000      -1.473100    
 H   -1.457000      -1.251700      -1.435200    
 H   -5.637600     -0.1463000      -1.710100    
 H   -6.110300      -1.002000     -0.2150000    
 H   -5.780500      -1.874500      -1.679700    
 H   -3.126300      -1.464800       2.512400    
 H   -4.527100      -2.157300       1.646800    
 H   -4.744500      -1.185700       3.069100    
 H   -2.076500       2.331600      0.3940000    
 H   -3.719500       2.561900       1.055400    
 H   -3.252500       3.295200     -0.4454000    
 H   0.5376000      -1.473300     -0.4274000    
 H    2.879700       2.076300      0.8582000    
 H    2.399800      -1.681100      -1.228000    
 H    5.241900       1.536400       1.257700    
 H    4.733100      -2.218500     -0.7994000    
 H    7.092500     -3.8100000E-02  0.9890000    
 H    6.884500      -1.564400      0.1566000    


%chk=000167612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167612

1 1
O 0.362306 1.356423 -0.020699
N -3.495686 -0.089051 0.047288
N 0.202919 -0.795146 -0.829189
N 6.590180 -0.303051 0.597596
C -2.023557 -0.548353 0.167120
C -4.264301 -1.110088 -0.829987
C -4.101379 -0.004157 1.475093
C -3.599262 1.322651 -0.608240
C -1.207819 -0.570464 -1.153812
C -5.776333 -0.883530 -0.948504
C -4.202692 -1.331917 2.235757
C -2.744300 2.417024 0.041633
C 0.963796 0.259649 -0.303690
C 2.413004 0.052301 -0.094761
C 3.149884 1.107725 0.516174
C 3.121707 -1.125461 -0.472057
C 4.524291 0.998889 0.748924
C 4.498840 -1.249311 -0.246406
C 5.230762 -0.186822 0.372251
H -2.040090 -1.554764 0.615379
H -1.524484 0.149519 0.856872
H -3.794109 -1.064548 -1.826799
H -4.052067 -2.103174 -0.399484
H -3.462715 0.704928 2.025607
H -5.096770 0.455962 1.358867
H -4.669589 1.585427 -0.571297
H -3.320075 1.187803 -1.667053
H -1.297534 0.401301 -1.671643
H -1.542844 -1.372826 -1.832733
H -6.033771 0.072803 -1.432143
H -6.299365 -0.946979 0.020034
H -6.186288 -1.685252 -1.588015
H -3.221593 -1.796589 2.428181
H -4.858424 -2.067907 1.741190
H -4.650292 -1.115616 3.221980
H -1.662926 2.194925 0.016018
H -3.050726 2.642827 1.077182
H -2.902944 3.342353 -0.541570
H 0.637860 -1.681290 -1.081099
H 2.607514 2.015871 0.798077
H 2.616727 -1.967423 -0.962907
H 5.067814 1.825727 1.220323
H 5.023571 -2.162398 -0.549934
H 7.115798 0.453013 1.029558
H 7.099762 -1.140701 0.327418


