BASE=BASE,<BASE>,</BASE> 

ZMATRIX=mfa,FREEZM,<ZMAT>,</ZMAT> 
AMPLITUDES=mfa,FREEU,<AMPLITUDES>,</AMPLITUDES> 
GF=mfa,AUTO,0.05 
INT=INT,<INT>,</INT> 

SMS=1-1,<SMS1>,</SMS1> 
SMS=2-1,<SMS2>,</SMS2> 

SEARCH=SCAN,GEDINT,<SCAN>,</SCAN>,1-1,2-1 

STOP 




<BASE>
 molecules mfa 
 jobname metafluorotrifluorometoxybenzene 
</BASE> 


<mfa> 
 formula C7H4OF4 
 amount  1.0 
</mfa> 



<SCAN> 
3 146.0   50  196.0 
4  70.0   50  130.0 
</SCAN> 



<ZMAT> 
C 
C 1 Rcc1 
C 2 Rcc2 1 Acc1 
C 3 Rcc3 2 Acc2 1 Fcc1 
C 4 Rcc4 3 Acc3 2 Fcc2 
C 5 Rcc5 4 Acc4 3 Fcc3 
O 4 Rco1 3 Aco1 2 Fco1 
C 7 Rco2 4 Aco2 3 Fco2 
F 8 Rcf1 7 Acf1 4 Fcf1 
F 8 Rcf2 7 Acf2 9 Aff1  -1  
F 8 Rcf3 7 Acf3 9 Aff2   1  
F 6 Rcf4 5 Acf4 4 Fcf4 
H 1 Rch1 2 Ach1 3 Fh1 
H 2 Rch2 1 Ach3 6 Fh1 
H 3 Rch3 2 Ach5 1 Fh1 
H 5 Rch4 4 Ach7 3 Fh1 
 
  Variable:        Value:  
    Rcc1           1.390          
    Rcc2           1.390          
    Rcc3           1.390          
    Rcc4           1.390          
    Rcc5           1.390          
    Rco1           1.404          
    Rco2           1.353          
    Rcf1           1.330          
    Rcf2           1.345          
    Rcf3           1.345          
    Rcf4           1.346           
    Rch1           1.080         
    Rch2           1.080         
    Rch3           1.080         
    Rch4           1.080         
    
    Acc1           120.0 
    Acc2           120.0 
    Acc3           120.0 
    Acc4           120.0 
    Aco1           119.0 
    Aco2           118.0     
    Acf1           107.7        
    Acf2           112.6          
    Acf3           112.6           
    Acf4           118.5         
    Aff1           108.3          
    Aff2           108.3           
    Ach1           120.0 
    Ach3           120.0 
    Ach5           120.0 
    Ach7           120.0
    
    Fcc1           0.0 
    Fcc2           0.0 
    Fcc3           0.0          
    Fco1           176.0     3 
    Fco2           100.0     4 
    Fcf1           180.0         
    Fcf4           180.0
    Fh1            180.0     
</ZMAT>





<AMPLITUDES>
; 
;A1  A2      Comm(r)        U         Corr         A 
; 
C5   H16    1.077230    0.075000     0.000000  0.000000        
C3   H15    1.077630    0.075000     0.000000  0.000000        
C1   H13    1.078360    0.075000     0.000000  0.000000        
C2   H14    1.079250    0.075000     0.000000  0.000000        
C8   F9     1.328820    0.044600     0.000000  0.000000        
C8   F10    1.344410    0.046300     0.000000  0.000000        
C8   F11    1.344520    0.046200     0.000000  0.000000        
C6   F12    1.345420    0.043900     0.000000  0.000000        
O7   C8     1.352960    0.046400     0.000000  0.000000        
C5   C6     1.383280    0.044900     0.000000  0.000000        
C1   C6     1.384185    0.045000     0.000000  0.000000        
C4   C5     1.384990    0.045000     0.000000  0.000000        
C3   C4     1.385290    0.045200     0.000000  0.000000        
C1   C2     1.389150    0.045200     0.000000  0.000000        
C2   C3     1.389880    0.045200     0.000000  0.000000        
C4   O7     1.403860    0.047100     0.000000  0.000000        
C6   H13    2.126448    0.097800     0.010470  0.000000         
C4   H15    2.127581    0.097700     0.010730  0.000000         
C3   H14    2.131513    0.097800     0.009770  0.000000         
C1   H14    2.135317    0.097600     0.005070  0.000000         
C6   H16    2.138383    0.098300     0.011100  0.000000         
C4   H16    2.149766    0.098300     0.005890  0.000000         
C2   H15    2.155081    0.097500     0.005100  0.000000         
C2   H13    2.158766    0.097700     0.004980  0.000000         
F10   F11   2.162350    0.056200     0.002240  0.000000     
O7   F9     2.164015    0.055900     0.002340  0.000000     
F9   F10    2.165053    0.056200     0.002630  0.000000       
F9   F11    2.165692    0.056500     0.002150  0.000000       
O7   F10    2.243964    0.057100     0.000960  0.000000     
O7   F11    2.244457    0.057100     0.001010  0.000000       
C5   F12    2.341038    0.058100     0.004850  0.000000       
C1   F12    2.350881    0.058100     0.002660  0.000000      
C4   C8     2.360039    0.063900     0.004950  0.000000       
C4   C6     2.363513    0.054000     0.004510  0.000000       
C2   C6     2.379205    0.054000     0.003890  0.000000     
C2   C4     2.384936    0.054200     0.002620  0.000000       
C5   O7     2.392938    0.065100     0.005450  0.000000       
C3   O7     2.404516    0.064900     0.001930  0.000000       
C1   C3     2.414796    0.054600     0.002650  0.000000       
C3   C5     2.422303    0.054100     0.002950  0.000000       
C1   C5     2.424530    0.054200     0.001910  0.000000       
H14   H15   2.475915    0.158200     0.012540  0.000000       
H13   H14   2.489706    0.158500     0.004070  0.000000       
F12   H13   2.573179    0.134000     0.012010  0.000000       
F12   H16   2.578762    0.134800     0.016330  0.000000       
O7   H15    2.612965    0.142900     0.011810  0.000000       
O7   H16    2.632588    0.144400     0.007810  0.000000       
F10   H15   2.739321    0.475000     0.158220  0.000000       
C3   C6     2.756485    0.060200     0.005110  0.000000       
F11   H16   2.760808    0.477400     0.140500  0.000000       
C1   C4     2.763108    0.060400     0.004290  0.000000       
C2   C5     2.785661    0.061200     0.003570  0.000000       
C4   F10    2.819381    0.142700     0.005770  0.000000       
C4   F11    2.820216    0.143900     0.004410  0.000000      
C5   F11    3.043637    0.348600     0.079950  0.000000       
C3   F10    3.046490    0.345400     0.086700  0.000000       
C5   C8     3.196354    0.177300     0.017010  0.000000       
C3   C8     3.202771    0.176100     0.018770  0.000000       
C8   H15    3.220423    0.303000     0.049230  0.000000       
C8   H16    3.243910    0.303900     0.036040  0.000000       
C6   H14    3.353215    0.093400     0.011420  0.000000       
C4   H14    3.355291    0.093700     0.013490  0.000000       
C5   H13    3.379216    0.094100     0.013950  0.000000       
C5   H15    3.379946    0.093900     0.014740  0.000000       
C1   H16    3.388390    0.094100     0.014220  0.000000       
C1   H15    3.391868    0.093600     0.010750  0.000000       
C3   H13    3.393982    0.093600     0.010640  0.000000       
C3   H16    3.394188    0.093900     0.011390  0.000000       
C4   F9     3.464925    0.062500     0.017330  0.000000     
C4   F12    3.586041    0.058900     0.009210  0.000000     
C2   F12    3.603930    0.058800     0.007330  0.000000     
C6   O7     3.639194    0.062200     0.009570  0.000000     
C2   O7     3.663793    0.062000     0.006070  0.000000     
C6   H15    3.824772    0.092600     0.016060  0.000000     
C4   H13    3.830492    0.092700     0.015360  0.000000     
C2   H16    3.853247    0.093100     0.015010  0.000000     
C5   H14    3.856248    0.093300     0.013930  0.000000     
C3   F11    3.899957    0.286600    -0.021360  0.000000       
C5   F10    3.902110    0.290000    -0.025350  0.000000       
C3   F12    4.097776    0.061500     0.009770  0.000000       
F11   H15   4.147375    0.551700     0.051910  0.000000      
F9   H15    4.155638    0.226700     0.033230  0.000000       
C1   O7     4.160736    0.063100     0.009220  0.000000      
F9   H16    4.171369    0.228500     0.025580  0.000000       
F10   H16   4.178828    0.553700     0.032740  0.000000      
H13   H16   4.250141    0.130000     0.028060  0.000000       
H15   H16   4.263358    0.129500     0.023360  0.000000       
C6   F11    4.268166    0.341800     0.058720  0.000000      
C2   F10    4.269413    0.340700     0.065330  0.000000      
C5   F9     4.282674    0.122200     0.026210  0.000000       
H13   H15   4.292565    0.128000     0.017620  0.000000      
C3   F9     4.295320    0.121900     0.024730  0.000000       
C6   C8     4.446544    0.147500     0.013380  0.000000       
C2   C8     4.459796    0.148300     0.013750  0.000000       
F12   H14   4.474138    0.104000     0.014220  0.000000       
O7   H14    4.525324    0.107400     0.017840  0.000000         
O7   F12    4.726989    0.075400     0.015830  0.000000         
F10   H14   4.838462    0.435300     0.107430  0.000000         
C6   F10    4.915525    0.247400    -0.028680  0.000000         
C2   F11    4.922087    0.248100    -0.028590  0.000000         
H14   H16   4.922298    0.117000     0.026920  0.000000         
C1   C8     4.979131    0.102300     0.010520  0.000000       
F11   F12   5.001756    0.446100     0.097670  0.000000         
C1   F11    5.080767    0.243000     0.005260  0.000000         
C1   F10    5.081309    0.240400     0.009050  0.000000         
F12   H15   5.164538    0.093600     0.022220  0.000000       
O7   H13    5.227083    0.094800     0.021940  0.000000       
C8   H14    5.258337    0.218800     0.030180  0.000000       
C8   F12    5.456426    0.212600     0.023200  0.000000       
C6   F9     5.595563    0.109200     0.033930  0.000000       
C2   F9     5.615062    0.110100     0.031910  0.000000       
F11   H14   5.827174    0.350700    -0.025470  0.000000       
C8   H13    6.011844    0.132500     0.023300  0.000000       
F11   H13   6.040853    0.274500     0.015770  0.000000       
F10   H13   6.051474    0.269900     0.020310  0.000000       
F10   F12   6.055045    0.359000    -0.035730  0.000000       
C1   F9     6.176137    0.085400     0.035350  0.000000       
F9   H14    6.375974    0.172100     0.046450  0.000000       
F9   F12    6.555214    0.157800     0.043000  0.000000       
F9   H13    7.224597    0.115300     0.051050  0.000000       
</AMPLITUDES>











 
 
 
<INT> 
#---------------------------Intensity---------------------------#
#---------------------------------------------------------------#
#         S               I(S)
#---------------------------------------------------------------#
INT1
  7.400000 0.737473  
  7.600000 0.718345  
  7.800000 0.706691  
  8.000000 0.700799  
  8.200000 0.699319  
  8.400000 0.702578  
  8.600000 0.710748  
  8.800000 0.721397  
  9.000000 0.729677  
  9.200000 0.731082  
  9.400000 0.724075  
  9.600000 0.710799  
  9.800000 0.695486  
 10.000000 0.681999 
 10.200000 0.671971 
 10.400000 0.664481 
 10.600000 0.657588 
 10.800000 0.650119 
 11.000000 0.641910 
 11.200000 0.632839 
 11.400000 0.622588 
 11.600000 0.611082 
 11.800000 0.599200  
 12.000000 0.588147  
 12.200000 0.578089  
 12.400000 0.568145  
 12.600000 0.557938  
 12.800000 0.548675  
 13.000000 0.542382  
 13.200000 0.540093  
 13.400000 0.540982  
 13.600000 0.542968  
 13.800000 0.544305 
 14.000000 0.544325 
 14.200000 0.542947 
 14.400000 0.540078 
 14.600000 0.535711 
 14.800000 0.530190 
 15.000000 0.524235 
 15.200000 0.518564 
 15.400000 0.513282 
 15.600000 0.507825 
 15.800000 0.501608 
 16.000000 0.494532 
 16.200000 0.486940  
 16.400000 0.479357  
 16.600000 0.472278  
 16.800000 0.466172  
 17.000000 0.461339  
 17.200000 0.457700  
 17.400000 0.455068  
 17.600000 0.453253  
 17.800000 0.452211  
 18.000000 0.451932  
 18.200000 0.452167  
 18.400000 0.452391 
 18.600000 0.451997 
 18.800000 0.450595 
 19.000000 0.448114 
 19.200000 0.444707 
 19.400000 0.440640 
 19.600000 0.436277 
 19.800000 0.432024 
 20.000000 0.428180 
 20.200000 0.424811 
 20.400000 0.421798 
 20.600000 0.418950 
 20.800000 0.416122 
 21.000000 0.413198 
 21.200000 0.410021  
 21.400000 0.406431  
 21.600000 0.402487  
 21.800000 0.398530  
 22.000000 0.395062  
 22.200000 0.392485  
 22.400000 0.390864  
 22.600000 0.389960  
 22.800000 0.389446  
 23.000000 0.389084  
 23.200000 0.388746 
 23.400000 0.388345 
 23.600000 0.387746 
 23.800000 0.386796 
 24.000000 0.385363 
 24.200000 0.383337 
 24.400000 0.380644 
 24.600000 0.377350 
 24.800000 0.373676 
 25.000000 0.369956 
 25.200000 0.366552  
 25.400000 0.363680  
 25.600000 0.361392  
 25.800000 0.359600  
 26.000000 0.358142  
 26.200000 0.356850  
 26.400000 0.355586  
 26.600000 0.354244  
 26.800000 0.352821  
 27.000000 0.351387  
 27.200000 0.349991  
 27.400000 0.348661  
 27.600000 0.347342  
 27.800000 0.345968 
 28.000000 0.344538 
INT2
  3.400000 0.714727 
  3.600000 0.728408 
  3.800000 0.733212 
  4.000000 0.734698 
  4.200000 0.736709 
  4.400000 0.743810 
  4.600000 0.761763 
  4.800000 0.793563 
  5.000000 0.835685 
  5.200000 0.879884 
  5.400000 0.918647 
  5.600000 0.947545 
  5.800000 0.963164 
  6.000000 0.961739 
  6.200000 0.941958 
  6.400000 0.908196 
  6.600000 0.868746 
  6.800000 0.830320 
  7.000000 0.795238 
  7.200000 0.763801 
  7.400000 0.737473 
  7.600000 0.718345 
  7.800000 0.706691 
  8.000000 0.700799 
  8.200000 0.699319 
  8.400000 0.702578 
  8.600000 0.710748 
  8.800000 0.721397 
  9.000000 0.729677 
  9.200000 0.731082 
  9.400000 0.724075 
  9.600000 0.710799 
  9.800000 0.695486 
 10.000000 0.681999
 10.200000 0.671971
 10.400000 0.664481
 10.600000 0.657588
 10.800000 0.650119
 11.000000 0.641910
 11.200000 0.632839
 11.400000 0.622588
 11.600000 0.611082
 11.800000 0.599200 
 12.000000 0.588147 
 12.200000 0.578089 
 12.400000 0.568145 
 12.600000 0.557938 
#---------------------------Intensity---------------------------#
</INT>




<SMS1>
  7.400000  -0.983884 
  7.600000  -1.214781 
  7.800000  -1.307404 
  8.000000  -1.282220 
  8.200000  -1.155774 
  8.400000  -0.910513 
  8.600000  -0.530782 
  8.800000  -0.062978 
  9.000000   0.377468 
  9.200000   0.666623 
  9.400000   0.745107 
  9.600000   0.648322 
  9.800000   0.480484 
 10.000000   0.352057 
 10.200000   0.317677 
 10.400000   0.356807 
 10.600000   0.411482 
 10.800000   0.440905 
 11.000000   0.436136 
 11.200000   0.392117 
 11.400000   0.290690 
 11.600000   0.125248 
 11.800000  -0.072875 
 12.000000  -0.257367 
 12.200000  -0.417988 
 12.400000  -0.587054 
 12.600000  -0.781962 
 12.800000  -0.951462 
 13.000000  -0.998741 
 13.200000  -0.863244 
 13.400000  -0.573485 
 13.600000  -0.220108 
 13.800000   0.112627 
 14.000000   0.385195 
 14.200000   0.588119 
 14.400000   0.713086 
 14.600000   0.752207 
 14.800000   0.719242 
 15.000000   0.654434 
 15.200000   0.596978 
 15.400000   0.551904 
 15.600000   0.487788 
 15.800000   0.367452 
 16.000000   0.178991 
 16.200000  -0.059173 
 16.400000  -0.313009 
 16.600000  -0.546192 
 16.800000  -0.725783 
 17.000000  -0.828880 
 17.200000  -0.850966 
 17.400000  -0.803402 
 17.600000  -0.697370 
 17.800000  -0.532182 
 18.000000  -0.304851 
 18.200000  -0.031566 
 18.400000   0.245412 
 18.600000   0.475302 
 18.800000   0.622923 
 19.000000   0.677757 
 19.200000   0.647787 
 19.400000   0.552749 
 19.600000   0.422578 
 19.800000   0.293021 
 20.000000   0.192651 
 20.200000   0.130307 
 20.400000   0.095760 
 20.600000   0.072229 
 20.800000   0.046219 
 21.000000   0.005372 
 21.200000  -0.067425 
 21.400000  -0.188411 
 21.600000  -0.354778 
 21.800000  -0.531912 
 22.000000  -0.664183 
 22.200000  -0.705306 
 22.400000  -0.643563 
 22.600000  -0.501318 
 22.800000  -0.313233 
 23.000000  -0.105623 
 23.200000   0.107202 
 23.400000   0.313991 
 23.600000   0.499178 
 23.800000   0.643278 
 24.000000   0.726530 
 24.200000   0.731552 
 24.400000   0.647559 
 24.600000   0.478691 
 24.800000   0.250966 
 25.000000   0.008709 
 25.200000  -0.200973 
 25.400000  -0.345689 
 25.600000  -0.415769 
 25.800000  -0.420628 
 26.000000  -0.380172 
 26.200000  -0.317643 
 26.400000  -0.254191 
 26.600000  -0.203075 
 26.800000  -0.165428 
 27.000000  -0.132265 
 27.200000  -0.093482 
 27.400000  -0.047216 
 27.600000  -0.001228 
 27.800000   0.035068 
 28.000000   0.060507 
</SMS1>


<SMS2>
  3.400000  -0.236749 
  3.600000  -0.364863 
  3.800000  -0.545487 
  4.000000  -0.731346 
  4.200000  -0.886823 
  4.400000  -0.964605 
  4.600000  -0.897105 
  4.800000  -0.637722 
  5.000000  -0.209376 
  5.200000   0.303771 
  5.400000   0.812401 
  5.600000   1.253096 
  5.800000   1.566031 
  6.000000   1.677103 
  6.200000   1.537990 
  6.400000   1.182604 
  6.600000   0.715904 
  6.800000   0.236073 
  7.000000  -0.217416 
  7.200000  -0.634806 
  7.400000  -0.983884 
  7.600000  -1.214781 
  7.800000  -1.307404 
  8.000000  -1.282220 
  8.200000  -1.155774 
  8.400000  -0.910513 
  8.600000  -0.530782 
  8.800000  -0.062978 
  9.000000   0.377468 
  9.200000   0.666623 
  9.400000   0.745107 
  9.600000   0.648322 
  9.800000   0.480484 
 10.000000   0.352057 
 10.200000   0.317677 
 10.400000   0.356807 
 10.600000   0.411482 
 10.800000   0.440905 
 11.000000   0.436136 
 11.200000   0.392117 
 11.400000   0.290690 
 11.600000   0.125248 
 11.800000  -0.072875 
 12.000000  -0.257367 
 12.200000  -0.417988 
 12.400000  -0.587054 
 12.600000  -0.781962 
</SMS2>



;------------------------------------------------------------
; ⮢ ᯥਬ⠫ sM(s) ᣥ஢ : 
; Scale(1-1) = Scale(2-1) = 1.00000. 
; Lamda = 0.05000. 
;    z-  ⥫쭠 ଠ : 
;------------------------------------------------------------
C 
C 1 Rcc1 
C 2 Rcc2 1 Acc1 
C 3 Rcc3 2 Acc2 1 Fcc1 
C 4 Rcc4 3 Acc3 2 Fcc2 
C 5 Rcc5 4 Acc4 3 Fcc3 
O 4 Rco1 3 Aco1 2 Fco1 
C 7 Rco2 4 Aco2 3 Fco2 
F 8 Rcf1 7 Acf1 4 Fcf1 
F 8 Rcf2 7 Acf2 9 Aff1  -1  
F 8 Rcf3 7 Acf3 9 Aff2   1  
F 6 Rcf4 5 Acf4 4 Fcf4 
H 1 Rch1 2 Ach1 3 Fh1 
H 2 Rch2 1 Ach3 6 Fh1 
H 3 Rch3 2 Ach5 1 Fh1 
H 5 Rch4 4 Ach7 3 Fh1 
 
  Variable:        Value:  
    Rcc1           1.390          
    Rcc2           1.390          
    Rcc3           1.390          
    Rcc4           1.390          
    Rcc5           1.390          
    Rco1           1.404          
    Rco2           1.353          
    Rcf1           1.330          
    Rcf2           1.345          
    Rcf3           1.345          
    Rcf4           1.346           
    Rch1           1.080         
    Rch2           1.080         
    Rch3           1.080         
    Rch4           1.080         
    
    Acc1           120.0 
    Acc2           120.0 
    Acc3           120.0 
    Acc4           120.0 
    Aco1           119.0 
    Aco2           118.0     
    Acf1           107.7        
    Acf2           112.6          
    Acf3           112.6           
    Acf4           118.5         
    Aff1           108.3          
    Aff2           108.3           
    Ach1           120.0 
    Ach3           120.0 
    Ach5           120.0 
    Ach7           120.0
    
    Fcc1           0.0 
    Fcc2           0.0 
    Fcc3           0.0          
    Fco1           176.0        
    Fco2           100.0        
    Fcf1           180.0         
    Fcf4           180.0
    Fh1            180.0     
;------------------------------------------------------------
; 
;A1  A2      Comm(r)        U         Corr         A 
; 
C5   H16    1.077230    0.075000     0.000000  0.000000        
C3   H15    1.077630    0.075000     0.000000  0.000000        
C1   H13    1.078360    0.075000     0.000000  0.000000        
C2   H14    1.079250    0.075000     0.000000  0.000000        
C8   F9     1.328820    0.044600     0.000000  0.000000        
C8   F10    1.344410    0.046300     0.000000  0.000000        
C8   F11    1.344520    0.046200     0.000000  0.000000        
C6   F12    1.345420    0.043900     0.000000  0.000000        
O7   C8     1.352960    0.046400     0.000000  0.000000        
C5   C6     1.383280    0.044900     0.000000  0.000000        
C1   C6     1.384185    0.045000     0.000000  0.000000        
C4   C5     1.384990    0.045000     0.000000  0.000000        
C3   C4     1.385290    0.045200     0.000000  0.000000        
C1   C2     1.389150    0.045200     0.000000  0.000000        
C2   C3     1.389880    0.045200     0.000000  0.000000        
C4   O7     1.403860    0.047100     0.000000  0.000000        
C6   H13    2.126448    0.097800     0.010470  0.000000         
C4   H15    2.127581    0.097700     0.010730  0.000000         
C3   H14    2.131513    0.097800     0.009770  0.000000         
C1   H14    2.135317    0.097600     0.005070  0.000000         
C6   H16    2.138383    0.098300     0.011100  0.000000         
C4   H16    2.149766    0.098300     0.005890  0.000000         
C2   H15    2.155081    0.097500     0.005100  0.000000         
C2   H13    2.158766    0.097700     0.004980  0.000000         
F10   F11   2.162350    0.056200     0.002240  0.000000     
O7   F9     2.164015    0.055900     0.002340  0.000000     
F9   F10    2.165053    0.056200     0.002630  0.000000       
F9   F11    2.165692    0.056500     0.002150  0.000000       
O7   F10    2.243964    0.057100     0.000960  0.000000     
O7   F11    2.244457    0.057100     0.001010  0.000000       
C5   F12    2.341038    0.058100     0.004850  0.000000       
C1   F12    2.350881    0.058100     0.002660  0.000000      
C4   C8     2.360039    0.063900     0.004950  0.000000       
C4   C6     2.363513    0.054000     0.004510  0.000000       
C2   C6     2.379205    0.054000     0.003890  0.000000     
C2   C4     2.384936    0.054200     0.002620  0.000000       
C5   O7     2.392938    0.065100     0.005450  0.000000       
C3   O7     2.404516    0.064900     0.001930  0.000000       
C1   C3     2.414796    0.054600     0.002650  0.000000       
C3   C5     2.422303    0.054100     0.002950  0.000000       
C1   C5     2.424530    0.054200     0.001910  0.000000       
H14   H15   2.475915    0.158200     0.012540  0.000000       
H13   H14   2.489706    0.158500     0.004070  0.000000       
F12   H13   2.573179    0.134000     0.012010  0.000000       
F12   H16   2.578762    0.134800     0.016330  0.000000       
O7   H15    2.612965    0.142900     0.011810  0.000000       
O7   H16    2.632588    0.144400     0.007810  0.000000       
F10   H15   2.739321    0.475000     0.158220  0.000000       
C3   C6     2.756485    0.060200     0.005110  0.000000       
F11   H16   2.760808    0.477400     0.140500  0.000000       
C1   C4     2.763108    0.060400     0.004290  0.000000       
C2   C5     2.785661    0.061200     0.003570  0.000000       
C4   F10    2.819381    0.142700     0.005770  0.000000       
C4   F11    2.820216    0.143900     0.004410  0.000000      
C5   F11    3.043637    0.348600     0.079950  0.000000       
C3   F10    3.046490    0.345400     0.086700  0.000000       
C5   C8     3.196354    0.177300     0.017010  0.000000       
C3   C8     3.202771    0.176100     0.018770  0.000000       
C8   H15    3.220423    0.303000     0.049230  0.000000       
C8   H16    3.243910    0.303900     0.036040  0.000000       
C6   H14    3.353215    0.093400     0.011420  0.000000       
C4   H14    3.355291    0.093700     0.013490  0.000000       
C5   H13    3.379216    0.094100     0.013950  0.000000       
C5   H15    3.379946    0.093900     0.014740  0.000000       
C1   H16    3.388390    0.094100     0.014220  0.000000       
C1   H15    3.391868    0.093600     0.010750  0.000000       
C3   H13    3.393982    0.093600     0.010640  0.000000       
C3   H16    3.394188    0.093900     0.011390  0.000000       
C4   F9     3.464925    0.062500     0.017330  0.000000     
C4   F12    3.586041    0.058900     0.009210  0.000000     
C2   F12    3.603930    0.058800     0.007330  0.000000     
C6   O7     3.639194    0.062200     0.009570  0.000000     
C2   O7     3.663793    0.062000     0.006070  0.000000     
C6   H15    3.824772    0.092600     0.016060  0.000000     
C4   H13    3.830492    0.092700     0.015360  0.000000     
C2   H16    3.853247    0.093100     0.015010  0.000000     
C5   H14    3.856248    0.093300     0.013930  0.000000     
C3   F11    3.899957    0.286600    -0.021360  0.000000       
C5   F10    3.902110    0.290000    -0.025350  0.000000       
C3   F12    4.097776    0.061500     0.009770  0.000000       
F11   H15   4.147375    0.551700     0.051910  0.000000      
F9   H15    4.155638    0.226700     0.033230  0.000000       
C1   O7     4.160736    0.063100     0.009220  0.000000      
F9   H16    4.171369    0.228500     0.025580  0.000000       
F10   H16   4.178828    0.553700     0.032740  0.000000      
H13   H16   4.250141    0.130000     0.028060  0.000000       
H15   H16   4.263358    0.129500     0.023360  0.000000       
C6   F11    4.268166    0.341800     0.058720  0.000000      
C2   F10    4.269413    0.340700     0.065330  0.000000      
C5   F9     4.282674    0.122200     0.026210  0.000000       
H13   H15   4.292565    0.128000     0.017620  0.000000      
C3   F9     4.295320    0.121900     0.024730  0.000000       
C6   C8     4.446544    0.147500     0.013380  0.000000       
C2   C8     4.459796    0.148300     0.013750  0.000000       
F12   H14   4.474138    0.104000     0.014220  0.000000       
O7   H14    4.525324    0.107400     0.017840  0.000000         
O7   F12    4.726989    0.075400     0.015830  0.000000         
F10   H14   4.838462    0.435300     0.107430  0.000000         
C6   F10    4.915525    0.247400    -0.028680  0.000000         
C2   F11    4.922087    0.248100    -0.028590  0.000000         
H14   H16   4.922298    0.117000     0.026920  0.000000         
C1   C8     4.979131    0.102300     0.010520  0.000000       
F11   F12   5.001756    0.446100     0.097670  0.000000         
C1   F11    5.080767    0.243000     0.005260  0.000000         
C1   F10    5.081309    0.240400     0.009050  0.000000         
F12   H15   5.164538    0.093600     0.022220  0.000000       
O7   H13    5.227083    0.094800     0.021940  0.000000       
C8   H14    5.258337    0.218800     0.030180  0.000000       
C8   F12    5.456426    0.212600     0.023200  0.000000       
C6   F9     5.595563    0.109200     0.033930  0.000000       
C2   F9     5.615062    0.110100     0.031910  0.000000       
F11   H14   5.827174    0.350700    -0.025470  0.000000       
C8   H13    6.011844    0.132500     0.023300  0.000000       
F11   H13   6.040853    0.274500     0.015770  0.000000       
F10   H13   6.051474    0.269900     0.020310  0.000000       
F10   F12   6.055045    0.359000    -0.035730  0.000000       
C1   F9     6.176137    0.085400     0.035350  0.000000       
F9   H14    6.375974    0.172100     0.046450  0.000000       
F9   F12    6.555214    0.157800     0.043000  0.000000       
F9   H13    7.224597    0.115300     0.051050  0.000000       
;------------------------------------------------------------
