%chk=000046807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046807

1 1
 N   0.7275000     -0.9583000     -0.1446000    
 N   -3.350000      0.3922000     -9.2299998E-02
 C    2.109700      0.4674000       1.398400    
 C    3.145600     -0.4781000     -0.6398000    
 C    3.381600     -0.1694000      0.8386000    
 C   0.9369000     -0.5241000       1.242700    
 C    1.959500      -1.457500     -0.7689000    
 C    1.862700       1.816400      0.6972000    
 C    2.933400      0.8393000      -1.409000    
 C    1.837100       1.738200     -0.8314000    
 C  -0.3455000      -1.945300     -0.2320000    
 C   -1.661200      -1.345100      0.2599000    
 C   -2.048400     -0.1311000     -0.5726000    
 C   -3.270300      0.7767000       1.392000    
 C   -3.763300       1.640000     -0.8858000    
 C   -4.455400     -0.6614000     -0.2523000    
 H    2.251600      0.6616000       2.469000    
 H    4.038000     -0.9696000      -1.047200    
 H    4.238500      0.5039000      0.9618000    
 H    3.618500      -1.089900       1.386100    
 H    1.123800      -1.392900       1.888300    
 H   5.6100000E-02 -8.5000005E-03   1.637400    
 H    1.778400      -1.646700      -1.834200    
 H    2.247600      -2.416700     -0.3175000    
 H    2.665000       2.506400      0.9902000    
 H   0.9277000       2.263200       1.055600    
 H    2.717200      0.6305000      -2.463400    
 H    3.877400       1.400100      -1.394300    
 H   0.8576000       1.386100      -1.170000    
 H    1.939000       2.747800      -1.247700    
 H  -0.1087000      -2.844800      0.3509000    
 H  -0.4757000      -2.264000      -1.274300    
 H   -1.608900      -1.155800       1.333400    
 H   -2.399300      -2.145500      0.1384000    
 H   -2.152300     -0.3897000      -1.633300    
 H   -1.319200      0.6805000     -0.4829000    
 H   -4.169300       1.349600       1.641800    
 H   -2.379400       1.393300       1.543100    
 H   -3.248500     -0.1215000       2.013400    
 H   -3.841200       1.360600      -1.940600    
 H   -4.727400       1.994700     -0.5099000    
 H   -2.991800       2.402800     -0.7452000    
 H   -5.417700     -0.1732000     -6.7199998E-02
 H   -4.322100      -1.459900      0.4813000    
 H   -4.420500      -1.046900      -1.275300    


%chk=000046807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046807

1 1
N 0.695622 -1.083302 0.023473
N -3.227555 0.416570 -0.291347
C 2.195112 0.267134 1.568639
C 2.934238 -0.185784 -0.776833
C 3.411066 -0.119674 0.693621
C 1.114587 -0.835388 1.434973
C 1.855221 -1.290170 -0.899948
C 1.713915 1.694868 1.186098
C 2.477385 1.226420 -1.237869
C 1.396684 1.864145 -0.323914
C -0.305394 -2.167890 -0.082492
C -1.736714 -1.667724 0.275860
C -2.130227 -0.587148 -0.741033
C -2.727531 1.269284 0.873978
C -3.534491 1.337568 -1.471920
C -4.498236 -0.322127 0.115571
H 2.495543 0.282360 2.635291
H 3.776039 -0.499562 -1.425338
H 4.218820 0.628016 0.804729
H 3.823005 -1.097299 1.012757
H 1.516569 -1.776085 1.891722
H 0.221536 -0.549493 2.026738
H 1.461855 -1.323994 -1.935014
H 2.348391 -2.275136 -0.701774
H 2.518995 2.403449 1.466660
H 0.829869 1.976051 1.796275
H 2.110147 1.187710 -2.282773
H 3.373023 1.879973 -1.247456
H 0.426212 1.379550 -0.543635
H 1.295706 2.940966 -0.565301
H -0.063176 -3.038377 0.572266
H -0.304580 -2.546121 -1.123318
H -1.715658 -1.272225 1.307709
H -2.436250 -2.522913 0.261008
H -2.503896 -1.038845 -1.677407
H -1.227498 0.015998 -0.953868
H -3.482222 2.038416 1.099720
H -1.775475 1.740719 0.586377
H -2.574303 0.633702 1.756913
H -3.903370 0.733033 -2.314324
H -4.301456 2.068704 -1.173538
H -2.611219 1.859981 -1.764977
H -5.269273 0.413505 0.393047
H -4.279202 -0.974646 0.972376
H -4.847518 -0.928821 -0.733924


