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

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

AUTOGROUP=AMPLITUDES 
PRINT=RSORTU,mfa 

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           176.0        
    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>











 
 
 
