%chk=000028198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028198

0 1
 N    5.969400     -0.1339000     -0.2057000    
 N  -0.1463000      0.3490000     -0.4982000    
 N   0.4350000      0.1446000      0.5934000    
 C   -3.683000     -0.6688000     -0.1785000    
 C   -4.286700      0.5579000      9.8399997E-02
 C   -4.491300      -1.921400     -0.2645000    
 C   -5.761200      0.6571000      0.3144000    
 C   -2.303900     -0.7387000     -0.3769000    
 C   -3.511100       1.714700      0.1776000    
 C   -1.528500      0.4182000     -0.2981000    
 C   -2.132000       1.644800     -2.0600000E-02
 C   -4.616700      -2.623100       1.084500    
 C   -6.520000      0.9159000     -0.9837000    
 C    4.575300     -6.3800000E-02 -4.4999998E-03
 C    1.824200      7.4699998E-02  0.3928000    
 C    3.971500       1.162800      0.2726000    
 C    3.800300      -1.221000     -8.2099997E-02
 C    2.592500       1.232200      0.4717000    
 C    2.421400      -1.151500      0.1172000    
 C    6.855100      0.8002000      0.4604000    
 C    6.536000      -1.150000      -1.070300    
 H   -5.484000      -1.746600     -0.6899000    
 H   -4.013200      -2.612100     -0.9720000    
 H   -6.168200     -0.2252000      0.8170000    
 H   -5.969400       1.482400       1.008600    
 H   -1.828200      -1.693100     -0.5916000    
 H   -3.967600       2.677700      0.3904000    
 H   -1.536400       2.552000      4.1700002E-02
 H   -3.632500      -2.907100       1.473000    
 H   -5.212900      -3.535200      0.9800000    
 H   -5.098000      -1.987400       1.833900    
 H   -6.202400       1.857900      -1.444100    
 H   -7.594200      0.9846000     -0.7841000    
 H   -6.361500      0.1187000      -1.716400    
 H    4.544200       2.084200      0.3285000    
 H    4.240000      -2.193600     -0.2837000    
 H    2.129500       2.192000      0.6851000    
 H    1.825100      -2.058100      5.8300000E-02
 H    6.864000       1.764200     -5.8899999E-02
 H    7.884900      0.4260000      0.4767000    
 H    6.560900      0.9572000       1.504400    
 H    7.549400     -0.8788000      -1.387000    
 H    5.944300      -1.275100      -1.984200    
 H    6.600100      -2.111200     -0.5495000    


%chk=000028198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028198

0 1
N 6.197550 -0.075597 -0.214144
N -0.217941 -0.164624 -0.142512
N 0.615695 0.151826 0.824781
C -3.919902 -0.382613 -0.592718
C -4.414027 -0.007432 0.694382
C -4.847492 -0.802160 -1.728695
C -5.903961 0.100634 0.996662
C -2.521512 -0.412812 -0.803856
C -3.480465 0.324465 1.716795
C -1.599576 -0.083103 0.221797
C -2.093235 0.292638 1.503102
C -5.172185 -2.320824 -1.695394
C -6.470030 1.512996 0.679668
C 4.822551 -0.027533 0.017108
C 1.990291 0.069193 0.481130
C 3.885020 -0.376774 -1.016434
C 4.296147 0.370808 1.290342
C 2.506428 -0.328394 -0.788757
C 2.911980 0.414389 1.507254
C 6.715164 -0.485217 -1.527530
C 7.137196 0.282272 0.857348
H -5.792693 -0.229241 -1.696509
H -4.368928 -0.562863 -2.697287
H -6.477968 -0.654061 0.428277
H -6.075239 -0.116729 2.068407
H -2.113479 -0.696525 -1.781488
H -3.867045 0.610713 2.703759
H -1.379069 0.544715 2.292607
H -4.246697 -2.918748 -1.776621
H -5.840593 -2.601663 -2.530381
H -5.667845 -2.602541 -0.748230
H -5.948020 2.285235 1.272920
H -7.549584 1.567990 0.912779
H -6.334477 1.765941 -0.387751
H 4.247257 -0.687609 -2.000542
H 4.969461 0.645171 2.106607
H 1.795729 -0.594716 -1.577580
H 2.507351 0.717809 2.478974
H 6.406341 -1.517676 -1.787583
H 7.815763 -0.454813 -1.512363
H 6.366834 0.189739 -2.334923
H 8.169867 0.178301 0.489773
H 7.021518 -0.377257 1.740907
H 6.997721 1.329995 1.192017


