%chk=000017857.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017857

0 1
 N    2.056800      -2.511000      0.2286000    
 N   -3.344700      0.5825000      0.3498000    
 C   -1.113400     -0.3492000     -8.1600003E-02
 C    1.041400       1.189200      5.0000001E-02
 C  -0.4621000      0.9838000      0.3706000    
 C  -0.2035000      -1.545600      0.2741000    
 C    1.848900     -8.0499999E-02  0.3989000    
 C    1.247400      -1.362600     -0.1883000    
 C   -2.452000     -0.5099000      0.6760000    
 C   -1.454400     -0.3502000      -1.583100    
 C    1.273100       1.597800      -1.416500    
 C    1.562400       2.355800      0.9214000    
 H  -0.5704000       1.046900       1.463700    
 H   -1.019200       1.840500     -3.1199999E-02
 H  -0.6163000      -2.467600     -0.1574000    
 H  -0.2121000      -1.689600       1.364200    
 H    1.899700     -0.1809000       1.492900    
 H    2.886200      3.6499999E-02  5.6600001E-02
 H    1.286600      -1.326200      -1.281000    
 H   -2.291500     -0.5393000       1.760400    
 H   -2.931100      -1.457800      0.4023000    
 H   -1.925400      0.5863000      -1.901400    
 H  -0.5748000     -0.4965000      -2.212300    
 H   -2.139100      -1.170000      -1.832600    
 H   0.6449000       2.452300      -1.692100    
 H    2.316700       1.892600      -1.579200    
 H    1.067800      0.7921000      -2.121700    
 H    1.441800       2.142100       1.989500    
 H    2.627700       2.540300      0.7419000    
 H    1.020100       3.283200      0.7046000    
 H    2.057500      -2.583300       1.245500    
 H    3.027900      -2.362900     -4.4000000E-02
 H   -3.008000       1.451000      0.7620000    
 H   -4.255200      0.4132000      0.7762000    


%chk=000017857-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017857

0 1
N 2.025649 -2.589293 0.213593
N -3.404744 0.613436 0.477218
C -1.111364 -0.327075 -0.090070
C 1.072794 1.229428 0.036816
C -0.443442 1.013605 0.355589
C -0.195814 -1.523870 0.294414
C 1.864368 -0.057816 0.417632
C 1.268216 -1.368653 -0.166407
C -2.449863 -0.485997 0.708593
C -1.461730 -0.354151 -1.599742
C 1.334127 1.608179 -1.448662
C 1.577129 2.412026 0.910333
H -0.541850 1.072595 1.463113
H -1.023123 1.861503 -0.061699
H -0.601609 -2.466033 -0.121612
H -0.191342 -1.635628 1.403466
H 1.875226 -0.161604 1.525308
H 2.921727 0.047688 0.095478
H 1.292607 -1.319922 -1.272531
H -2.189276 -0.613337 1.788065
H -2.932519 -1.428574 0.383691
H -2.189560 0.446053 -1.821912
H -0.581929 -0.223531 -2.249954
H -1.929625 -1.322620 -1.864061
H 0.674014 2.437974 -1.764536
H 2.382205 1.941651 -1.575838
H 1.170207 0.767217 -2.142477
H 1.428577 2.205612 1.987437
H 2.656114 2.594888 0.744116
H 1.034161 3.345304 0.664803
H 2.004287 -2.758933 1.228432
H 2.995201 -2.582198 -0.128359
H -3.203971 1.473687 0.992473
H -4.391148 0.351386 0.524091


