%chk=000005086.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005086

0 1
 S    1.145700      -2.968500     -0.3013000    
 F    3.915100       1.648600       1.778000    
 O  -0.9426000       1.051600      0.2276000    
 N   -2.835000     -0.2237000      0.5577000    
 N   -1.351600      -2.512200      0.1861000    
 N   -5.217300       2.482200     -0.3775000    
 C   0.6447000      -1.336100     -0.1408000    
 C  -0.7098000      -1.291200      0.1153000    
 C    1.616500     -0.2792000     -0.2802000    
 C   -3.728900      0.8971000      0.7411000    
 C   -1.461200     -8.0399998E-02  0.3056000    
 C   -4.327900       1.346500     -0.5835000    
 C    2.309700      0.1830000      0.8386000    
 C    1.863500      0.2800000      -1.533900    
 C    3.249900       1.204400      0.7037000    
 C    2.803800       1.301500      -1.668700    
 C  -0.4716000      -3.467300     -1.7999999E-02
 C    3.496900       1.763700     -0.5500000    
 H   -3.180300       1.717200       1.218100    
 H   -4.514400      0.5690000       1.431100    
 H   -3.230900      -1.158500      0.5999000    
 H   -4.883200      0.5233000      -1.047400    
 H   -3.533700       1.634400      -1.281300    
 H    2.128400     -0.2409000       1.823400    
 H    1.331000     -6.7599997E-02  -2.416100    
 H    2.996000       1.737400      -2.644800    
 H  -0.7457000      -4.513300     -9.2000002E-03
 H    4.228800       2.559100     -0.6547000    
 H   -5.978400       2.214300      0.2452000    
 H   -5.650100       2.738000      -1.264000    


%chk=000005086-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005086

0 1
S 1.045043 -2.905532 -0.924756
F 2.558502 3.269738 0.513551
O -1.193726 1.177434 0.667316
N -2.920879 -0.370219 0.564543
N -1.427740 -2.373099 -0.190837
N -5.616435 2.278663 0.396914
C 0.627320 -1.181661 -0.442182
C -0.736083 -1.143051 -0.078336
C 1.723653 -0.193840 -0.519891
C -3.943324 0.575911 1.023580
C -1.603162 -0.002622 0.406580
C -4.626000 1.332978 -0.145719
C 1.603570 1.109880 0.042505
C 2.953788 -0.541200 -1.162992
C 2.693243 1.984253 -0.050459
C 4.024502 0.369525 -1.233338
C -0.667728 -3.360876 -0.604520
C 3.911750 1.660856 -0.669057
H -3.452466 1.309440 1.688787
H -4.713871 0.038139 1.602718
H -3.149112 -1.346042 0.345060
H -5.155516 0.604958 -0.788682
H -3.828018 1.802843 -0.764939
H 0.663181 1.423480 0.512882
H 3.076261 -1.526217 -1.626001
H 4.953183 0.076645 -1.733275
H -1.002369 -4.386162 -0.756011
H 4.726866 2.388777 -0.707974
H -6.348566 2.562697 -0.258162
H -5.208468 3.076705 0.892692


