%chk=000028720.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028720

0 1
 S    4.645000      -1.017000      0.6805000    
 F   -5.084100       2.417800      0.3806000    
 F   -5.062700      0.7734000       1.794600    
 F   -3.401300       2.175200       1.736300    
 O   -1.599800      -3.342600      6.7599997E-02
 C    2.209300     -0.4447000      6.2399998E-02
 C    2.971400      0.7795000     -0.1029000    
 C    3.011600      -1.504200      0.4890000    
 C    4.320800      0.5989000      0.2050000    
 C   0.8279000     -0.7022000     -0.1389000    
 C   0.2980000      -1.975700      8.4600002E-02
 C    2.481900      -2.790400      0.7161000    
 C    1.119400      -3.008700      0.5083000    
 C    2.555500       2.073100     -0.5137000    
 C   -1.120500      -2.215900     -0.1281000    
 C   -2.055000      -1.142900     -0.5839000    
 C    5.249500       1.655300      0.1151000    
 C    3.472500       3.123500     -0.6045000    
 C    4.806700       2.914200     -0.2924000    
 C   -2.688600     -0.3751000      0.3652000    
 C   -3.560700      0.6269000     -6.1000001E-02
 C   -2.243500     -0.9659000      -1.934900    
 C   -3.773900      0.8323000      -1.424200    
 C   -3.115300      3.5900000E-02  -2.361000    
 C   -4.264300       1.479300      0.9402000    
 H   0.2052000      0.1231000     -0.4704000    
 H    3.119000      -3.605500       1.048300    
 H   0.7272000      -4.006700      0.6881000    
 H    1.513500       2.259100     -0.7631000    
 H    6.297100       1.499700      0.3579000    
 H    3.136000       4.106700     -0.9208000    
 H   -2.518800     -0.5394000       1.425600    
 H    5.514700       3.735200     -0.3650000    
 H   -1.732800      -1.583700      -2.667200    
 H   -4.448900       1.607700      -1.775700    
 H   -3.281200      0.1958000      -3.422500    


%chk=000028720-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028720

0 1
S 4.595966 -0.956191 1.226911
F -4.603852 2.532404 0.701119
F -3.064380 1.563757 2.063027
F -2.393025 2.916288 0.377248
O -1.277899 -3.552979 -1.112375
C 2.196815 -0.423261 0.093106
C 2.934302 0.840859 0.058143
C 2.947529 -1.485884 0.685963
C 4.239028 0.732152 0.626604
C 0.889767 -0.692120 -0.372066
C 0.343680 -1.994831 -0.254610
C 2.424821 -2.791963 0.803269
C 1.128105 -3.039381 0.323833
C 2.515752 2.098404 -0.445914
C -1.010026 -2.354170 -0.783002
C -2.080503 -1.300097 -0.933701
C 5.120353 1.827268 0.698857
C 3.387228 3.202924 -0.380500
C 4.682069 3.069208 0.187607
C -2.195800 -0.198161 -0.052505
C -3.260915 0.718972 -0.208520
C -3.054462 -1.478306 -1.953071
C -4.214177 0.553137 -1.238176
C -4.107019 -0.555575 -2.107753
C -3.340486 1.901159 0.714234
H 0.315823 0.103533 -0.857894
H 3.012844 -3.596912 1.254292
H 0.691957 -4.041745 0.377757
H 1.517023 2.212339 -0.881757
H 6.117730 1.726686 1.138078
H 3.063356 4.174212 -0.768482
H -1.488213 -0.074021 0.773099
H 5.349483 3.936370 0.232848
H -2.970194 -2.355369 -2.602815
H -5.033469 1.269974 -1.347346
H -4.848410 -0.696682 -2.900309


