%chk=000100475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100475

0 1
 S  -0.8850000       2.587400      -1.166100    
 F   -4.554400      -2.383000      0.5907000    
 F   -4.220500      -1.849600      -1.484800    
 F   -2.577300      -2.615700     -0.2842000    
 N    3.960200     -0.8554000     -0.9058000    
 N    4.008600     -0.6644000       1.495800    
 N    2.385700      0.6032000       2.632800    
 N    5.621600      -1.926600      0.3583000    
 C    2.286900      0.4471000      0.2143000    
 C    2.865300     -7.6399997E-02 -0.9535000    
 C   0.5652000       1.557300      -1.078300    
 C    1.142000       1.260300      0.1525000    
 C    2.267600      0.2371000      -2.171700    
 C    1.128900       1.044900      -2.241500    
 C   -2.047900       1.638800     -0.1958000    
 C    2.912200      0.1123000       1.412100    
 C   -3.292600     -0.3942000      0.1710000    
 C   -2.384100      0.3452000     -0.5863000    
 C   -2.614200       2.198100      0.9469000    
 C   -3.861900      0.1625000       1.316400    
 C   -3.522600       1.458500       1.704400    
 C    4.472300      -1.107100      0.3160000    
 C   -3.655900      -1.780300     -0.2431000    
 H   0.7020000       1.669300       1.059300    
 H    2.689300     -0.1517000      -3.096600    
 H   0.6983000       1.260800      -3.216400    
 H   -1.952400     -9.8300003E-02  -1.480800    
 H   -2.361100       3.206400       1.264600    
 H   -4.571300     -0.3977000       1.919300    
 H   -3.965500       1.892000       2.596400    
 H    1.458700      0.2505000       2.853800    
 H    2.435300       1.613700       2.726800    
 H    6.043300      -2.145500       1.250300    
 H    6.008200      -2.285200     -0.5039000    


%chk=000100475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100475

0 1
S -0.685440 2.929351 -0.085290
F -4.546089 -2.344917 -0.036923
F -2.314288 -2.299310 -0.460612
F -3.066008 -2.221351 1.672429
N 3.814743 -0.978909 -1.245639
N 4.413292 -1.035602 1.139242
N 3.259685 0.150470 2.762796
N 5.609187 -2.251045 -0.452227
C 2.512858 0.339771 0.408694
C 2.781760 -0.112051 -0.940545
C 0.634503 1.685590 -0.404361
C 1.437742 1.239410 0.654040
C 1.941009 0.362776 -1.999981
C 0.890109 1.245301 -1.739633
C -2.194396 1.886598 0.107063
C 3.403956 -0.188095 1.437775
C -3.373147 -0.238671 0.285904
C -2.164127 0.476429 0.119099
C -3.426472 2.572465 0.260626
C -4.607659 0.431600 0.441936
C -4.622880 1.843517 0.425793
C 4.570335 -1.389130 -0.193072
C -3.327578 -1.738648 0.353920
H 1.214697 1.602930 1.663777
H 2.155428 0.012921 -3.013770
H 0.256141 1.610314 -2.554001
H -1.220059 -0.061789 -0.009150
H -3.450174 3.667810 0.245582
H -5.533930 -0.137326 0.561447
H -5.570418 2.379880 0.539214
H 2.523720 0.766123 3.093268
H 3.912090 -0.259439 3.428611
H 6.186493 -2.580099 0.316296
H 5.769817 -2.552574 -1.409409


