%chk=000124238.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124238

0 1
 S    4.965500     -0.3154000       1.607700    
 F   -1.715300     -0.5190000      -2.096600    
 N    3.220900     -0.4130000     -0.2974000    
 N    4.501800      -2.378800     -5.2000000E-03
 C    2.141000       1.790600     -0.2468000    
 C   0.7357000       1.305800     -0.1293000    
 C    3.170900      0.7984000      0.3075000    
 C    2.576200       2.245100      -1.663300    
 C   0.1491000      0.6058000      -1.183700    
 C   7.7000000E-03   1.552300       1.034700    
 C   -1.893100      0.3990000      9.0200000E-02
 C   -1.165500      0.1524000      -1.074000    
 C   -1.306800       1.099100       1.144400    
 C   -3.256800     -7.0100002E-02  0.2088000    
 C    3.997200       1.073500       1.334300    
 C    4.154200      -1.104700      0.3178000    
 C   -4.312500      0.7436000     -0.2029000    
 C   -3.515900      -1.336100      0.7341000    
 C   -5.627100      0.2915000     -8.8900000E-02
 C   -4.830600      -1.788100      0.8479000    
 C   -5.886100     -0.9743000      0.4364000    
 C    3.889500      -3.157400      -1.075700    
 H    2.211600       2.704200      0.3639000    
 H    1.860100       2.961100      -2.081200    
 H    2.669200       1.405200      -2.360400    
 H    3.556300       2.734600      -1.621500    
 H   0.6915000      0.3850000      -2.097500    
 H   0.4523000       2.094300       1.865300    
 H   -1.859700       1.299300       2.059200    
 H    4.100500       1.968900       1.930500    
 H   -4.128200       1.733000     -0.6149000    
 H   -2.704800      -1.983300       1.059500    
 H    5.235900      -2.844800      0.5213000    
 H   -6.449100      0.9250000     -0.4093000    
 H   -5.032600      -2.773800       1.256900    
 H   -6.909700      -1.326400      0.5251000    
 H    4.035000      -2.663800      -2.041400    
 H    2.818000      -3.284800     -0.8935000    
 H    4.351700      -4.147900      -1.121500    


%chk=000124238-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124238

0 1
S 5.143410 -0.973821 1.536481
F -1.314737 -1.384822 -1.348031
N 3.454422 -0.415175 -0.482405
N 4.775475 -2.373765 -0.877056
C 2.245411 1.685482 0.257509
C 0.794818 1.186549 0.278049
C 3.257912 0.576645 0.501486
C 2.555206 2.422922 -1.077874
C 0.374553 0.110784 -0.542657
C -0.175924 1.824780 1.090346
C -1.974479 0.330772 0.263903
C -0.969676 -0.280034 -0.527730
C -1.522082 1.406722 1.078651
C -3.403277 -0.093330 0.272002
C 4.043895 0.465249 1.631029
C 4.379064 -1.296353 -0.125223
C -4.061738 -0.533634 -0.909967
C -4.156202 -0.033152 1.478046
C -5.426295 -0.892023 -0.884727
C -5.520344 -0.392461 1.502660
C -6.164418 -0.822612 0.319457
C 4.160505 -2.653163 -2.181453
H 2.356503 2.413193 1.084109
H 1.830033 3.238882 -1.246435
H 2.495994 1.718311 -1.924552
H 3.573703 2.850610 -1.057152
H 1.095818 -0.429941 -1.162546
H 0.121713 2.664107 1.729958
H -2.255853 1.940985 1.691796
H 4.073629 1.101826 2.512356
H -3.505353 -0.587271 -1.849790
H -3.661927 0.267829 2.408885
H 5.486133 -3.001577 -0.508680
H -5.914245 -1.224354 -1.807976
H -6.077046 -0.346313 2.445469
H -7.223243 -1.104099 0.336595
H 4.292382 -1.797767 -2.868258
H 3.075628 -2.839062 -2.077158
H 4.638632 -3.544920 -2.618616


