%chk=000116605.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116605

0 1
 S   -2.693900      -1.229700      3.0500000E-02
 F   -3.325200      0.6727000       1.669700    
 F   -2.967800       1.316400     -0.3808000    
 F    1.316900       1.328100       1.374900    
 F   -1.065300       2.139400       1.300900    
 F  -0.6955000      0.1077000       2.016200    
 F    1.782800     -0.7566000      -1.417500    
 F    1.510400      -1.295000      0.6885000    
 F   0.7991000       3.190000     -0.6016000    
 F    2.841800       2.438100     -0.6345000    
 F    1.403500       1.758100      -2.126400    
 F    3.548900      -2.393400     -0.4794000    
 F    6.168500      -2.302000     -0.1167000    
 F    6.039300     -4.2300001E-02  0.4577000    
 O  -0.2365000      0.6289000     -0.1519000    
 O    3.343200     -9.5399998E-02  9.4300002E-02
 O   -1.977400      -2.076300      0.9653000    
 O   -2.396400      -1.275100      -1.388000    
 N   -4.366900      -1.480000      0.2674000    
 N   -7.607500     -0.3906000      -1.228300    
 C   -2.533000      0.4628000      0.5844000    
 C    1.138300      0.9446000      8.0399998E-02
 C   -1.110600      0.8295000      0.9491000    
 C    1.956100     -0.3192000     -0.1446000    
 C    1.550800       2.090600     -0.8250000    
 C   -5.333000     -0.5518000     -0.3454000    
 C   -6.636100      -1.289200     -0.6173000    
 C    4.111900      -1.222900     -0.1014000    
 C    5.433600      -1.187500      7.9599999E-02
 H   -4.648300      -1.803800       1.202400    
 H   -4.931700     -0.1584000      -1.286000    
 H   -5.503700      0.2862000      0.3391000    
 H   -7.047100      -1.693400      0.3149000    
 H   -6.457500      -2.137300      -1.287700    
 H   -7.803700      0.3846000     -0.5963000    
 H   -8.489900     -0.8839000      -1.357600    


%chk=000116605-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116605

0 1
S -2.809397 -0.483063 -0.992126
F -3.444691 1.687552 0.749951
F -2.352162 2.381967 -1.131150
F 1.560684 1.306630 1.596723
F -0.895310 2.660684 1.432227
F -1.134417 0.418713 1.686712
F 1.560579 -0.558755 -1.546794
F 1.303067 -1.226114 0.600716
F 1.400946 3.553994 -0.295384
F 3.404593 2.571410 0.065990
F 2.277836 2.168547 -1.865199
F 4.451344 -1.556461 -1.636898
F 5.214062 -3.379594 0.385712
F 4.049578 -2.191063 1.949127
O 0.004313 1.242319 -0.206060
O 3.327302 -0.248559 -0.039793
O -1.503949 -1.423177 -0.837107
O -3.464391 -0.094559 -2.418506
N -4.130263 -1.192419 0.004203
N -7.885497 -1.676359 -0.195782
C -2.357026 1.439801 -0.111242
C 1.386855 1.170883 0.193027
C -1.046645 1.444524 0.702080
C 1.912433 -0.251782 -0.220519
C 2.138453 2.380107 -0.488710
C -5.524825 -0.776203 -0.185958
C -6.478908 -2.018123 -0.033365
C 4.032949 -1.418716 -0.321790
C 4.415656 -2.293443 0.631852
H -3.792856 -1.454232 0.940053
H -5.621458 -0.383766 -1.214620
H -5.829954 0.020742 0.522499
H -6.331915 -2.474373 0.962934
H -6.182059 -2.772412 -0.782001
H -8.337984 -1.162131 0.560225
H -8.198841 -1.418668 -1.132127


