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> 

MINIMIZE=GEDINT,1-1,2-1 

PRINT=PARAMS,mfa 
PRINT=SMS,TSMS 


STOP 




<BASE>
 molecules mfa 
 jobname metafluorotrifluorometoxybenzene 
</BASE> 


<mfa> 
 formula C7H4OF4 
 amount  1.0 
</mfa> 




<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           1.380       2   
    Rcc2           1.380       2   
    Rcc3           1.380       2   
    Rcc4           1.380       2   
    Rcc5           1.380       2   
    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           186.0      4   
    Fco2           100.0        
    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    0.000000  0.000000         
C4   H15    2.127581    0.097700    0.000000  0.000000         
C3   H14    2.131513    0.097800    0.000000  0.000000         
C1   H14    2.135317    0.097600    0.000000  0.000000         
C6   H16    2.138383    0.098300    0.000000  0.000000         
C4   H16    2.149766    0.098300    0.000000  0.000000         
C2   H15    2.155081    0.097500    0.000000  0.000000         
C2   H13    2.158766    0.097700    0.000000  0.000000         
F10   F11   2.162350    0.056200    0.000000  0.000000     
O7   F9     2.164015    0.055900    0.000000  0.000000     
F9   F10    2.165053    0.056200    0.000000  0.000000       
F9   F11    2.165692    0.056500    0.000000  0.000000       
O7   F10    2.243964    0.057100    0.000000  0.000000     
O7   F11    2.244457    0.057100    0.000000  0.000000       
C5   F12    2.341038    0.058100    0.000000  0.000000       
C1   F12    2.350881    0.058100    0.000000  0.000000      
C4   C8     2.360039    0.063900    0.000000  0.000000       
C4   C6     2.363513    0.054000    0.000000  0.000000       
C2   C6     2.379205    0.054000    0.000000  0.000000     
C2   C4     2.384936    0.054200    0.000000  0.000000       
C5   O7     2.392938    0.065100    0.000000  0.000000       
C3   O7     2.404516    0.064900    0.000000  0.000000       
C1   C3     2.414796    0.054600    0.000000  0.000000       
C3   C5     2.422303    0.054100    0.000000  0.000000       
C1   C5     2.424530    0.054200    0.000000  0.000000       
H14   H15   2.475915    0.158200    0.000000  0.000000       
H13   H14   2.489706    0.158500    0.000000  0.000000       
F12   H13   2.573179    0.134000    0.000000  0.000000       
F12   H16   2.578762    0.134800    0.000000  0.000000       
O7   H15    2.612965    0.142900    0.000000  0.000000       
O7   H16    2.632588    0.144400    0.000000  0.000000       
F10   H15   2.739321    0.475000    0.000000  0.000000       
C3   C6     2.756485    0.060200    0.000000  0.000000       
F11   H16   2.760808    0.477400    0.000000  0.000000       
C1   C4     2.763108    0.060400    0.000000  0.000000       
C2   C5     2.785661    0.061200    0.000000  0.000000       
C4   F10    2.819381    0.142700    0.000000  0.000000       
C4   F11    2.820216    0.143900    0.000000  0.000000      
C5   F11    3.043637    0.348600    0.000000  0.000000       
C3   F10    3.046490    0.345400    0.000000  0.000000       
C5   C8     3.196354    0.177300    0.000000  0.000000       
C3   C8     3.202771    0.176100    0.000000  0.000000       
C8   H15    3.220423    0.303000    0.000000  0.000000       
C8   H16    3.243910    0.303900    0.000000  0.000000       
C6   H14    3.353215    0.093400    0.000000  0.000000       
C4   H14    3.355291    0.093700    0.000000  0.000000       
C5   H13    3.379216    0.094100    0.000000  0.000000       
C5   H15    3.379946    0.093900    0.000000  0.000000       
C1   H16    3.388390    0.094100    0.000000  0.000000       
C1   H15    3.391868    0.093600    0.000000  0.000000       
C3   H13    3.393982    0.093600    0.000000  0.000000       
C3   H16    3.394188    0.093900    0.000000  0.000000       
C4   F9     3.464925    0.062500    0.000000  0.000000     
C4   F12    3.586041    0.058900    0.000000  0.000000     
C2   F12    3.603930    0.058800    0.000000  0.000000     
C6   O7     3.639194    0.062200    0.000000  0.000000     
C2   O7     3.663793    0.062000    0.000000  0.000000     
C6   H15    3.824772    0.092600    0.000000  0.000000     
C4   H13    3.830492    0.092700    0.000000  0.000000     
C2   H16    3.853247    0.093100    0.000000  0.000000     
C5   H14    3.856248    0.093300    0.000000  0.000000     
C3   F11    3.899957    0.286600    0.000000  0.000000       
C5   F10    3.902110    0.290000    0.000000  0.000000       
C3   F12    4.097776    0.061500    0.000000  0.000000       
F11   H15   4.147375    0.551700    0.000000  0.000000      
F9   H15    4.155638    0.226700    0.000000  0.000000       
C1   O7     4.160736    0.063100    0.000000  0.000000      
F9   H16    4.171369    0.228500    0.000000  0.000000       
F10   H16   4.178828    0.553700    0.000000  0.000000      
H13   H16   4.250141    0.130000    0.000000  0.000000       
H15   H16   4.263358    0.129500    0.000000  0.000000       
C6   F11    4.268166    0.341800    0.000000  0.000000      
C2   F10    4.269413    0.340700    0.000000  0.000000      
C5   F9     4.282674    0.122200    0.000000  0.000000       
H13   H15   4.292565    0.128000    0.000000  0.000000      
C3   F9     4.295320    0.121900    0.000000  0.000000       
C6   C8     4.446544    0.147500    0.000000  0.000000       
C2   C8     4.459796    0.148300    0.000000  0.000000       
F12   H14   4.474138    0.104000    0.000000  0.000000       
O7   H14    4.525324    0.107400    0.000000  0.000000         
O7   F12    4.726989    0.075400    0.000000  0.000000         
F10   H14   4.838462    0.435300    0.000000  0.000000         
C6   F10    4.915525    0.247400    0.000000  0.000000         
C2   F11    4.922087    0.248100    0.000000  0.000000         
H14   H16   4.922298    0.117000    0.000000  0.000000         
C1   C8     4.979131    0.102300    0.000000  0.000000       
F11   F12   5.001756    0.446100    0.000000  0.000000         
C1   F11    5.080767    0.243000    0.000000  0.000000         
C1   F10    5.081309    0.240400    0.000000  0.000000         
F12   H15   5.164538    0.093600    0.000000  0.000000       
O7   H13    5.227083    0.094800    0.000000  0.000000       
C8   H14    5.258337    0.218800    0.000000  0.000000       
C8   F12    5.456426    0.212600    0.000000  0.000000       
C6   F9     5.595563    0.109200    0.000000  0.000000       
C2   F9     5.615062    0.110100    0.000000  0.000000       
F11   H14   5.827174    0.350700    0.000000  0.000000       
C8   H13    6.011844    0.132500    0.000000  0.000000       
F11   H13   6.040853    0.274500    0.000000  0.000000       
F10   H13   6.051474    0.269900    0.000000  0.000000       
F10   F12   6.055045    0.359000    0.000000  0.000000       
C1   F9     6.176137    0.085400    0.000000  0.000000       
F9   H14    6.375974    0.172100    0.000000  0.000000       
F9   F12    6.555214    0.157800    0.000000  0.000000       
F9   H13    7.224597    0.115300    0.000000  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  -0.983704 
  7.600000  -1.209669 
  7.800000  -1.302247 
  8.000000  -1.285354 
  8.200000  -1.164393 
  8.400000  -0.910694 
  8.600000  -0.513592 
  8.800000  -0.035950 
  9.000000   0.396634 
  9.200000   0.665009 
  9.400000   0.723178 
  9.600000   0.618295 
  9.800000   0.458349 
 10.000000   0.347157 
 10.200000   0.326106 
 10.400000   0.366396 
 10.600000   0.415531 
 10.800000   0.444526 
 11.000000   0.446149 
 11.200000   0.404403 
 11.400000   0.294307 
 11.600000   0.118605 
 11.800000  -0.078010 
 12.000000  -0.252177 
 12.200000  -0.410961 
 12.400000  -0.594439 
 12.600000  -0.805111 
 12.800000  -0.971314 
 13.000000  -0.996230 
 13.200000  -0.840920 
 13.400000  -0.552320 
 13.600000  -0.216387 
 13.800000   0.102661 
 14.000000   0.376942 
 14.200000   0.589235 
 14.400000   0.716510 
 14.600000   0.747741 
 14.800000   0.707618 
 15.000000   0.646818 
 15.200000   0.601922 
 15.400000   0.566375 
 15.600000   0.501893 
 15.800000   0.374792 
 16.000000   0.179707 
 16.200000  -0.063267 
 16.400000  -0.321548 
 16.600000  -0.557658 
 16.800000  -0.735844 
 17.000000  -0.834455 
 17.200000  -0.854015 
 17.400000  -0.807201 
 17.600000  -0.699643 
 17.800000  -0.525739 
 18.000000  -0.286510 
 18.200000  -0.007903 
 18.400000   0.263255 
 18.600000   0.481040 
 18.800000   0.617452 
 19.000000   0.663908 
 19.200000   0.626904 
 19.400000   0.527764 
 19.600000   0.401275 
 19.800000   0.284329 
 20.000000   0.199057 
 20.200000   0.145859 
 20.400000   0.112672 
 20.600000   0.088214 
 20.800000   0.063629 
 21.000000   0.023531 
 21.200000  -0.056389 
 21.400000  -0.193651 
 21.600000  -0.376536 
 21.800000  -0.559034 
 22.000000  -0.683206 
 22.200000  -0.711692 
 22.400000  -0.643143 
 22.600000  -0.501424 
 22.800000  -0.314442 
 23.000000  -0.102854 
 23.200000   0.117487 
 23.400000   0.329984 
 23.600000   0.516512 
 23.800000   0.658777 
 24.000000   0.737688 
 24.200000   0.734184 
 24.400000   0.637206 
 24.600000   0.455664 
 24.800000   0.222849 
 25.000000  -0.013706 
 25.200000  -0.210650 
 25.400000  -0.342434 
 25.600000  -0.403590 
 25.800000  -0.403763 
 26.000000  -0.362125 
 26.200000  -0.302386 
 26.400000  -0.245755 
 26.600000  -0.202725 
 26.800000  -0.169955 
 27.000000  -0.136520 
 27.200000  -0.095294 
 27.400000  -0.049563 
 27.600000  -0.009159 
 27.800000   0.019738 
 28.000000   0.041693 
</SMS1>


<SMS2>
  3.400000  -0.250518 
  3.600000  -0.375269 
  3.800000  -0.548074 
  4.000000  -0.726686 
  4.200000  -0.879319 
  4.400000  -0.959430 
  4.600000  -0.898559 
  4.800000  -0.647785 
  5.000000  -0.224110 
  5.200000   0.296288 
  5.400000   0.825158 
  5.600000   1.285935 
  5.800000   1.599518 
  6.000000   1.686721 
  6.200000   1.517592 
  6.400000   1.150713 
  6.600000   0.695961 
  6.800000   0.233642 
  7.000000  -0.213902 
  7.200000  -0.634563 
  7.400000  -0.983704 
  7.600000  -1.209669 
  7.800000  -1.302247 
  8.000000  -1.285354 
  8.200000  -1.164393 
  8.400000  -0.910694 
  8.600000  -0.513592 
  8.800000  -0.035950 
  9.000000   0.396634 
  9.200000   0.665009 
  9.400000   0.723178 
  9.600000   0.618295 
  9.800000   0.458349 
 10.000000   0.347157 
 10.200000   0.326106 
 10.400000   0.366396 
 10.600000   0.415531 
 10.800000   0.444526 
 11.000000   0.446149 
 11.200000   0.404403 
 11.400000   0.294307 
 11.600000   0.118605 
 11.800000  -0.078010 
 12.000000  -0.252177 
 12.200000  -0.410961 
 12.400000  -0.594439 
 12.600000  -0.805111 
</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    0.000000  0.000000         
C4   H15    2.127581    0.097700    0.000000  0.000000         
C3   H14    2.131513    0.097800    0.000000  0.000000         
C1   H14    2.135317    0.097600    0.000000  0.000000         
C6   H16    2.138383    0.098300    0.000000  0.000000         
C4   H16    2.149766    0.098300    0.000000  0.000000         
C2   H15    2.155081    0.097500    0.000000  0.000000         
C2   H13    2.158766    0.097700    0.000000  0.000000         
F10   F11   2.162350    0.056200    0.000000  0.000000     
O7   F9     2.164015    0.055900    0.000000  0.000000     
F9   F10    2.165053    0.056200    0.000000  0.000000       
F9   F11    2.165692    0.056500    0.000000  0.000000       
O7   F10    2.243964    0.057100    0.000000  0.000000     
O7   F11    2.244457    0.057100    0.000000  0.000000       
C5   F12    2.341038    0.058100    0.000000  0.000000       
C1   F12    2.350881    0.058100    0.000000  0.000000      
C4   C8     2.360039    0.063900    0.000000  0.000000       
C4   C6     2.363513    0.054000    0.000000  0.000000       
C2   C6     2.379205    0.054000    0.000000  0.000000     
C2   C4     2.384936    0.054200    0.000000  0.000000       
C5   O7     2.392938    0.065100    0.000000  0.000000       
C3   O7     2.404516    0.064900    0.000000  0.000000       
C1   C3     2.414796    0.054600    0.000000  0.000000       
C3   C5     2.422303    0.054100    0.000000  0.000000       
C1   C5     2.424530    0.054200    0.000000  0.000000       
H14   H15   2.475915    0.158200    0.000000  0.000000       
H13   H14   2.489706    0.158500    0.000000  0.000000       
F12   H13   2.573179    0.134000    0.000000  0.000000       
F12   H16   2.578762    0.134800    0.000000  0.000000       
O7   H15    2.612965    0.142900    0.000000  0.000000       
O7   H16    2.632588    0.144400    0.000000  0.000000       
F10   H15   2.739321    0.475000    0.000000  0.000000       
C3   C6     2.756485    0.060200    0.000000  0.000000       
F11   H16   2.760808    0.477400    0.000000  0.000000       
C1   C4     2.763108    0.060400    0.000000  0.000000       
C2   C5     2.785661    0.061200    0.000000  0.000000       
C4   F10    2.819381    0.142700    0.000000  0.000000       
C4   F11    2.820216    0.143900    0.000000  0.000000      
C5   F11    3.043637    0.348600    0.000000  0.000000       
C3   F10    3.046490    0.345400    0.000000  0.000000       
C5   C8     3.196354    0.177300    0.000000  0.000000       
C3   C8     3.202771    0.176100    0.000000  0.000000       
C8   H15    3.220423    0.303000    0.000000  0.000000       
C8   H16    3.243910    0.303900    0.000000  0.000000       
C6   H14    3.353215    0.093400    0.000000  0.000000       
C4   H14    3.355291    0.093700    0.000000  0.000000       
C5   H13    3.379216    0.094100    0.000000  0.000000       
C5   H15    3.379946    0.093900    0.000000  0.000000       
C1   H16    3.388390    0.094100    0.000000  0.000000       
C1   H15    3.391868    0.093600    0.000000  0.000000       
C3   H13    3.393982    0.093600    0.000000  0.000000       
C3   H16    3.394188    0.093900    0.000000  0.000000       
C4   F9     3.464925    0.062500    0.000000  0.000000     
C4   F12    3.586041    0.058900    0.000000  0.000000     
C2   F12    3.603930    0.058800    0.000000  0.000000     
C6   O7     3.639194    0.062200    0.000000  0.000000     
C2   O7     3.663793    0.062000    0.000000  0.000000     
C6   H15    3.824772    0.092600    0.000000  0.000000     
C4   H13    3.830492    0.092700    0.000000  0.000000     
C2   H16    3.853247    0.093100    0.000000  0.000000     
C5   H14    3.856248    0.093300    0.000000  0.000000     
C3   F11    3.899957    0.286600    0.000000  0.000000       
C5   F10    3.902110    0.290000    0.000000  0.000000       
C3   F12    4.097776    0.061500    0.000000  0.000000       
F11   H15   4.147375    0.551700    0.000000  0.000000      
F9   H15    4.155638    0.226700    0.000000  0.000000       
C1   O7     4.160736    0.063100    0.000000  0.000000      
F9   H16    4.171369    0.228500    0.000000  0.000000       
F10   H16   4.178828    0.553700    0.000000  0.000000      
H13   H16   4.250141    0.130000    0.000000  0.000000       
H15   H16   4.263358    0.129500    0.000000  0.000000       
C6   F11    4.268166    0.341800    0.000000  0.000000      
C2   F10    4.269413    0.340700    0.000000  0.000000      
C5   F9     4.282674    0.122200    0.000000  0.000000       
H13   H15   4.292565    0.128000    0.000000  0.000000      
C3   F9     4.295320    0.121900    0.000000  0.000000       
C6   C8     4.446544    0.147500    0.000000  0.000000       
C2   C8     4.459796    0.148300    0.000000  0.000000       
F12   H14   4.474138    0.104000    0.000000  0.000000       
O7   H14    4.525324    0.107400    0.000000  0.000000         
O7   F12    4.726989    0.075400    0.000000  0.000000         
F10   H14   4.838462    0.435300    0.000000  0.000000         
C6   F10    4.915525    0.247400    0.000000  0.000000         
C2   F11    4.922087    0.248100    0.000000  0.000000         
H14   H16   4.922298    0.117000    0.000000  0.000000         
C1   C8     4.979131    0.102300    0.000000  0.000000       
F11   F12   5.001756    0.446100    0.000000  0.000000         
C1   F11    5.080767    0.243000    0.000000  0.000000         
C1   F10    5.081309    0.240400    0.000000  0.000000         
F12   H15   5.164538    0.093600    0.000000  0.000000       
O7   H13    5.227083    0.094800    0.000000  0.000000       
C8   H14    5.258337    0.218800    0.000000  0.000000       
C8   F12    5.456426    0.212600    0.000000  0.000000       
C6   F9     5.595563    0.109200    0.000000  0.000000       
C2   F9     5.615062    0.110100    0.000000  0.000000       
F11   H14   5.827174    0.350700    0.000000  0.000000       
C8   H13    6.011844    0.132500    0.000000  0.000000       
F11   H13   6.040853    0.274500    0.000000  0.000000       
F10   H13   6.051474    0.269900    0.000000  0.000000       
F10   F12   6.055045    0.359000    0.000000  0.000000       
C1   F9     6.176137    0.085400    0.000000  0.000000       
F9   H14    6.375974    0.172100    0.000000  0.000000       
F9   F12    6.555214    0.157800    0.000000  0.000000       
F9   H13    7.224597    0.115300    0.000000  0.000000       
;------------------------------------------------------------
