%chk=000157795.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157795

0 1
 N  -0.8609000     -2.3600001E-02 -0.7887000    
 N    3.154300      0.1529000      0.4129000    
 N   -5.094400      0.3732000      0.1222000    
 C    1.198400      -1.146100     -0.1618000    
 C   0.5016000      -2.471800     -0.2992000    
 C    1.467400      -3.654700     -0.3594000    
 C    2.535700      -3.528500      0.7203000    
 C    3.363400      -2.264100      0.5001000    
 C    2.522900      -1.038800      0.2552000    
 C   0.5009000      3.9700001E-02 -0.3924000    
 C    1.129000       1.280600     -0.2296000    
 C    2.475500       1.290700      0.1790000    
 C   -1.668700      -1.178500     -0.5774000    
 C   -3.161600     -0.8823000     -0.7076000    
 C   -3.682100      0.1365000      0.3058000    
 C   0.4482000       2.488200     -0.4620000    
 C    3.102800       2.523100      0.3401000    
 C    1.098400       3.707200     -0.2929000    
 C    2.428200       3.724300      0.1083000    
 C   -5.599400       1.348600       1.097800    
 C   -5.859500     -0.8764000      0.2294000    
 H  -0.1343000      -2.691900      0.5588000    
 H   5.9300002E-02  -2.571400      -1.286700    
 H   0.9155000      -4.594500     -0.2415000    
 H    1.956700      -3.695400      -1.342100    
 H    3.192300      -4.405600      0.7071000    
 H    2.059000      -3.497300       1.708200    
 H    4.015600      -2.403200     -0.3709000    
 H    4.009900      -2.099300       1.369900    
 H   -1.265300      0.7682000      -1.270600    
 H   -1.589600      -1.552800      0.4448000    
 H   -1.555900      -1.922900      -1.363400    
 H   -3.668800      -1.847300     -0.5942000    
 H   -3.372000     -0.5227000      -1.724100    
 H   -3.138100       1.079800      0.1751000    
 H   -3.465400     -0.2177000       1.322500    
 H  -0.5930000       2.529600     -0.7660000    
 H    4.144100       2.562900      0.6550000    
 H   0.5694000       4.638500     -0.4710000    
 H    2.944200       4.670400      0.2435000    
 H   -5.055700       2.295800       1.008700    
 H   -5.501500      0.9887000       2.128400    
 H   -6.654400       1.574200      0.9065000    
 H   -6.935400     -0.6632000      0.2536000    
 H   -5.612900      -1.441300       1.135800    
 H   -5.722200      -1.514400     -0.6490000    


%chk=000157795-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157795

0 1
N -0.921412 -0.639818 -1.248955
N 2.763783 0.232559 0.743383
N -4.658741 0.808235 0.288921
C 1.180093 -1.408619 -0.201535
C 0.929530 -2.859316 -0.610430
C 2.209940 -3.721088 -0.583592
C 2.920267 -3.550719 0.775415
C 3.406111 -2.095035 0.927008
C 2.391829 -1.043813 0.485267
C 0.288562 -0.373852 -0.588996
C 0.660282 1.008874 -0.331444
C 1.925586 1.251912 0.325177
C -1.912234 -1.668336 -0.859100
C -3.330873 -1.058393 -0.768851
C -3.482511 -0.083321 0.419684
C -0.160024 2.133867 -0.672711
C 2.338648 2.600975 0.574798
C 0.265551 3.441621 -0.416232
C 1.530259 3.678529 0.206287
C -4.626396 1.909244 1.275417
C -5.945114 0.082214 0.324613
H 0.188245 -3.338013 0.062065
H 0.476246 -2.865831 -1.621237
H 1.945736 -4.780663 -0.763386
H 2.895620 -3.412190 -1.397950
H 3.777985 -4.243340 0.866220
H 2.211490 -3.806471 1.589009
H 4.322081 -1.942530 0.321390
H 3.697554 -1.869130 1.969348
H -1.321714 0.138936 -1.774939
H -1.627499 -2.077011 0.127594
H -1.922220 -2.512972 -1.577128
H -4.059211 -1.888023 -0.691908
H -3.565905 -0.513537 -1.706456
H -2.583748 0.560306 0.471580
H -3.509804 -0.674058 1.374655
H -1.147770 1.990079 -1.128609
H 3.306712 2.742626 1.065539
H -0.377088 4.287667 -0.683933
H 1.856685 4.706089 0.401518
H -3.681261 2.472118 1.173281
H -4.705901 1.559700 2.336497
H -5.463002 2.604808 1.083004
H -6.775273 0.798762 0.192738
H -6.111810 -0.468218 1.286772
H -5.997683 -0.647423 -0.501287


