%chk=000047674.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047674

0 1
 N   -1.207100      0.2490000     -0.2242000    
 N    4.411700      0.6365000      0.7470000    
 C  -0.2283000     -0.7023000     -0.4024000    
 C    1.117000     -0.3677000     -0.9229000    
 C    2.112300     -1.3400000E-02  0.2004000    
 C  -0.7368000      -1.926000     -2.3300000E-02
 C   -2.345600     -0.3783000      0.2723000    
 C   -2.072100      -1.723100      0.4025000    
 C    3.508300      0.2873000     -0.3431000    
 C   -1.141400       1.619800     -0.4753000    
 C  -2.5100000E-02  -3.219600     -5.2999999E-02
 C   -3.486300      0.4367000      0.5284000    
 C   -2.219000       2.383300     -0.2322000    
 C   -3.425700       1.760300      0.2864000    
 C    5.738100      0.9577000      0.2393000    
 H    1.074600      0.4443000      -1.657400    
 H    1.510200      -1.230300      -1.477100    
 H    1.737800      0.8554000      0.7576000    
 H    2.165900     -0.8445000      0.9161000    
 H   -2.761600      -2.473900      0.7648000    
 H    3.885700     -0.5894000     -0.8833000    
 H    3.441900       1.118600      -1.055300    
 H  -0.2208000       2.043700     -0.8552000    
 H   0.8994000      -3.168400      0.5310000    
 H  -0.6396000      -4.023100      0.3662000    
 H   0.2304000      -3.495400      -1.081300    
 H   -4.393300     -1.4900000E-02  0.9156000    
 H   -2.214500       3.452000     -0.4086000    
 H    4.478200     -0.1436000       1.400200    
 H   -4.282200       2.398600      0.4744000    
 H    6.185900      0.1060000     -0.2831000    
 H    6.393700       1.221800       1.074900    
 H    5.706600       1.817500     -0.4377000    


%chk=000047674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047674

0 1
N -1.165966 0.202936 -0.196635
N 4.422642 0.835866 0.684440
C -0.230264 -0.817432 -0.410664
C 1.164877 -0.542154 -0.899275
C 2.126968 0.016498 0.189296
C -0.853368 -2.043845 -0.070186
C -2.397964 -0.375088 0.282296
C -2.188443 -1.769705 0.358210
C 3.538202 0.291555 -0.364226
C -1.044367 1.578063 -0.391841
C -0.205452 -3.404627 -0.160400
C -3.489924 0.497979 0.553512
C -2.118853 2.413237 -0.126706
C -3.362790 1.874770 0.355367
C 5.789928 1.155050 0.235800
H 1.145669 0.165538 -1.756069
H 1.583849 -1.486473 -1.295311
H 1.727100 0.952411 0.622574
H 2.185407 -0.714424 1.021569
H -2.925992 -2.501303 0.684339
H 3.940297 -0.646747 -0.831273
H 3.475291 1.042308 -1.178916
H -0.081144 1.940787 -0.756090
H 0.719545 -3.464203 0.444156
H -0.890857 -4.188532 0.204262
H 0.067661 -3.661871 -1.202072
H -4.425154 0.061747 0.917870
H -2.001683 3.488452 -0.287233
H 4.418038 0.242352 1.524633
H -4.200887 2.546268 0.564460
H 6.341026 0.294626 -0.219526
H 6.384037 1.530892 1.087684
H 5.750872 1.959672 -0.522347


