%chk=000049542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049542

0 1
 N    5.531300      0.2740000     -0.1987000    
 N   -1.019600     -7.5599998E-02  0.4210000    
 C    2.734300     -0.5907000     -4.3099999E-02
 C    3.258300      0.6381000      0.7079000    
 C    3.611600     -0.8604000      -1.270300    
 C    1.272900     -0.4074000     -0.4429000    
 C    4.749500      0.5034000       1.023600    
 C    5.090800     -0.9458000     -0.8888000    
 C   0.3835000     -0.2429000      0.7847000    
 C   -1.905900      -1.109300      0.2739000    
 C   -1.616400       1.134200      0.1847000    
 C    6.958400      0.1988000      0.1132000    
 C   -3.133200     -0.5446000     -7.4100003E-02
 C   -2.950200      0.8737000     -0.1306000    
 C   -1.721700      -2.488900      0.4197000    
 C   -1.087000       2.429200      0.2242000    
 C   -4.233500      -1.401300     -0.2878000    
 C   -3.799500       1.961900     -0.4215000    
 C   -2.826400      -3.316900      0.2031000    
 C   -1.948000       3.490600     -6.7100003E-02
 C   -4.064700      -2.783200     -0.1455000    
 C   -3.284600       3.262800     -0.3856000    
 H    2.808400      -1.461300      0.6233000    
 H    2.734900      0.7739000       1.659600    
 H    3.089900       1.545700      0.1136000    
 H    3.473200     -6.3800000E-02  -2.013200    
 H    3.306100      -1.798000      -1.749900    
 H    1.166100      0.4622000      -1.104200    
 H   0.9402000      -1.277400      -1.023300    
 H    5.080900       1.430800       1.506700    
 H    4.901600     -0.3113000       1.744100    
 H    5.259200      -1.832300     -0.2630000    
 H    5.672400      -1.082100      -1.808600    
 H   0.6536000      0.6287000       1.386700    
 H   0.4608000      -1.110200       1.449600    
 H    7.546800      7.7500001E-02 -0.8031000    
 H    7.192200     -0.6340000      0.7862000    
 H    7.299100       1.128200      0.5831000    
 H  -0.7614000      -2.917500      0.6858000    
 H  -4.6700001E-02   2.619900      0.4652000    
 H   -5.205600      -1.000200     -0.5603000    
 H   -4.844200       1.800400     -0.6716000    
 H   -2.715900      -4.393200      0.3072000    
 H   -1.567400       4.508600     -4.6000000E-02
 H   -4.910200      -3.445900     -0.3096000    
 H   -3.936200       4.103200     -0.6092000    


%chk=000049542-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049542

0 1
N 5.653355 0.189445 -0.190651
N -1.053894 -0.046345 0.488685
C 2.785219 -0.525253 0.006903
C 3.406183 0.669028 0.777687
C 3.634781 -0.803672 -1.258063
C 1.300810 -0.297651 -0.368162
C 4.903840 0.436488 1.061917
C 5.124691 -0.991587 -0.912788
C 0.360455 -0.178972 0.857119
C -1.958451 -1.108685 0.296016
C -1.713646 1.164129 0.200140
C 7.108232 0.102260 0.035500
C -3.232134 -0.570139 -0.104267
C -3.075704 0.877922 -0.166559
C -1.756096 -2.497685 0.451694
C -1.216659 2.485465 0.238553
C -4.314257 -1.447864 -0.344860
C -3.946447 1.942950 -0.493907
C -2.852982 -3.352574 0.206705
C -2.106680 3.530922 -0.091008
C -4.119805 -2.836894 -0.187264
C -3.457383 3.266293 -0.453856
H 2.848012 -1.424125 0.662530
H 2.885258 0.837031 1.740327
H 3.297316 1.589095 0.169260
H 3.536657 0.048816 -1.958727
H 3.259664 -1.707806 -1.776934
H 1.211023 0.618837 -0.985090
H 0.949416 -1.139009 -0.998413
H 5.336858 1.326214 1.557025
H 5.011184 -0.424994 1.777144
H 5.246612 -1.928170 -0.302359
H 5.714437 -1.126640 -1.839066
H 0.637531 0.694853 1.474131
H 0.472139 -1.071322 1.502060
H 7.629583 -0.009714 -0.932226
H 7.405829 -0.757753 0.689341
H 7.468231 1.032091 0.511781
H -0.786260 -2.909808 0.749522
H -0.178194 2.703684 0.509269
H -5.291719 -1.056870 -0.649012
H -4.986939 1.745714 -0.775560
H -2.724726 -4.435066 0.320575
H -1.748414 4.566458 -0.069982
H -4.949065 -3.528705 -0.370304
H -4.120163 4.101212 -0.705725


