____________________________________________________________________________
 |                                                                            |
 |    R G D F I T   -   Fit of the position of a Rare-Gas atom in a           |
 |                      dimer with an acceptor molecule                       |
 |____________________________________________________________________________|
  version 5.XII.2001                                           Zbigniew KISIEL

    R, Theta, PHI =       3.62100    84.07000    47.00000
 Calculated A,B,C =   18146.05297  1641.22419  1506.25915

 Iteration no.  1
 dR, dTheta, dPhi =        .00960   -28.64789    16.61261
    R, Theta, PHI =       3.63060    55.42211    63.61261
 Calculated A,B,C =   11555.06540  1706.22958  1511.56082

 Iteration no.  2
 dR, dTheta, dPhi =       -.00001   -19.41792     2.94899
    R, Theta, PHI =       3.63059    36.00419    66.56160
 Calculated A,B,C =   10134.94951  1727.17845  1523.13093

 Iteration no.  3
 dR, dTheta, dPhi =        .00000     -.24958      .86297
    R, Theta, PHI =       3.63059    35.75461    67.42457
 Calculated A,B,C =   10087.17309  1728.50794  1523.18198

 Iteration no.  4
 dR, dTheta, dPhi =        .00000     -.00054      .02195
    R, Theta, PHI =       3.63059    35.75406    67.44652
 Calculated A,B,C =   10086.27026  1728.53699  1523.18000

 Iteration no.  5
 dR, dTheta, dPhi =        .00000      .00000      .00001
    R, Theta, PHI =       3.63059    35.75406    67.44653
 Calculated A,B,C =   10086.27000  1728.53700  1523.18000

 Iteration no.  6
 dR, dTheta, dPhi =        .00000      .00000      .00000

 ------------------------------------------------------------------------------
 Vinyl Fluoride...Ar                                                            
 ------------------------------------------------------------------------------

 THE FOUR SOLUTIONS FOR RARE-GAS ATOM POSITION ARE:

                      R       THETA     PHI          X         Y         Z

         R,T0,P0   3.63059    35.754    67.447      .81364   1.95914   2.94634
      R,T0,PI+P0   3.63059    35.754   247.447     -.81364  -1.95914   2.94634
 R,PI-T0,2*PI-P0   3.63059   144.246   292.553      .81364  -1.95914  -2.94634
   R,PI-T0,PI-P0   3.63059   144.246   112.553     -.81364   1.95914  -2.94634
  
   OBSERVED RG-MOLECULE CONSTANTS:        10086.270    1728.537    1523.180
 CALCULATED RG-MOLECULE CONSTANTS:        10086.270    1728.537    1523.180
   Chi Squared = SUM(I.o-I.c)**2 :             .000
  
 Z,X,Y AXIS CONSTANTS OF MOLECULE:         9155.400   64784.370   10662.200

 ------------------------------------------------------------------------------