FFLD_VERSION 4.1.0
================================================================================
  ATOMTYPES and PARAMETERS for molecule: 

================================================================================

 Total charge of the system =  0.0000
Formal charge of the system =  0.0000


Charges
atom  formal fractional formal 
1       0     0.000  
2       0     0.000  
3       0     0.000  
4       0     0.000  
5       0     0.000  
6       0     0.000  
7       0     0.000  
8       0     0.000  
9       0     0.000  
10      0     0.000  
11      0     0.000  
12      0     0.000  

BCI's             index  type   type    bci        assignement info
 C1      C2          0   125   2157     0.0000   empirical rule   C4T-C4T
 C1      C4          0   125   2157     0.0000   empirical rule   C4T-C4T
 C1      F11         0   125    727    -0.3575   empirical rule   C4T-F
 C1      F12         0   125    727    -0.3575   empirical rule   C4T-F
 C2      C3          0  2157   2157     0.0000   exact type       C4T-C4T
 C2      F9          0  2157    727    -0.1200   exact type       C4T-F
 C2      F10         0  2157    727    -0.1200   exact type       C4T-F
 C3      C4          0  2157   2157     0.0000   exact type       C4T-C4T
 C3      F7          0  2157    727    -0.1200   exact type       C4T-F
 C3      F8          0  2157    727    -0.1200   exact type       C4T-F
 C4      F5          0  2157    727    -0.1200   exact type       C4T-F
 C4      F6          0  2157    727    -0.1200   exact type       C4T-F

OPLSAA FORCE FIELD TYPE ASSIGNED
-------------------------------------------------------------------------------
 atom   type  vdw  symbol    charge   sigma    epsilon  quality   comment 
-------------------------------------------------------------------------------
 C1       125  C1   C4T      0.7150   3.5000   0.0660 high   saturated cyclobutyl carbon
 C2      2157  C16  C4T      0.2400   3.2500   0.0620 high  di fluoro methyl 
 C3      2157  C16  C4T      0.2400   3.2500   0.0620 high  di fluoro methyl 
 C4      2157  C16  C4T      0.2400   3.2500   0.0620 high  di fluoro methyl 
 F5       727  F3   F       -0.1200   2.9500   0.0530 high  F attached to di halogen C
 F6       727  F3   F       -0.1200   2.9500   0.0530 high  F attached to di halogen C
 F7       727  F3   F       -0.1200   2.9500   0.0530 high  F attached to di halogen C
 F8       727  F3   F       -0.1200   2.9500   0.0530 high  F attached to di halogen C
 F9       727  F3   F       -0.1200   2.9500   0.0530 high  F attached to di halogen C
 F10      727  F3   F       -0.1200   2.9500   0.0530 high  F attached to di halogen C
 F11      727  F3   F       -0.3575   2.9500   0.0530 high  F attached to di halogen C
 F12      727  F3   F       -0.3575   2.9500   0.0530 high  F attached to di halogen C
------------------------------------------------------------------------------


 Stretch            k            r0    quality         bt        comment
 C1      C2      268.00000    1.52900   high         4  => 4     C4T-C4T    ==> C4T-C4T   
 C1      C4      268.00000    1.52900   high         4  => 4     C4T-C4T    ==> C4T-C4T   
 C1      F11     367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C1      F12     367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C2      C3      268.00000    1.52900   high         4  => 4     C4T-C4T    ==> C4T-C4T   
 C2      F9      367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C2      F10     367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C3      C4      268.00000    1.52900   high         4  => 4     C4T-C4T    ==> C4T-C4T   
 C3      F7      367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C3      F8      367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C4      F5      367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      
 C4      F6      367.00000    1.33200   high         0  => 0     C4T-F      ==> CT-F      

 Bending                      k       theta0    quality   at  comment
 C2      C1      C4        63.00000   92.00000   high     4   C4T-C4T-C4T       ==> C4T-C4T-C4T      
 C2      C1      F11       50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C2      C1      F12       50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C4      C1      F11       50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C4      C1      F12       50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 F11     C1      F12       77.00000  109.10000   high     0   F-C4T-F           ==> F-CT-F           
 C1      C2      C3        63.00000   92.00000   high     4   C4T-C4T-C4T       ==> C4T-C4T-C4T      
 C1      C2      F9        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C1      C2      F10       50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C3      C2      F9        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C3      C2      F10       50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 F9      C2      F10       77.00000  109.10000   high     0   F-C4T-F           ==> F-CT-F           
 C2      C3      C4        63.00000   92.00000   high     4   C4T-C4T-C4T       ==> C4T-C4T-C4T      
 C2      C3      F7        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C2      C3      F8        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C4      C3      F7        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C4      C3      F8        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 F7      C3      F8        77.00000  109.10000   high     0   F-C4T-F           ==> F-CT-F           
 C1      C4      C3        63.00000   92.00000   high     4   C4T-C4T-C4T       ==> C4T-C4T-C4T      
 C1      C4      F5        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C1      C4      F6        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C3      C4      F5        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 C3      C4      F6        50.00000  109.50000   high     0   C4T-C4T-F         ==> CT-CT-F          
 F5      C4      F6        77.00000  109.10000   high     0   F-C4T-F           ==> F-CT-F           

 proper Torsion                     V1      V2      V3      V4    quality  tt  comment
 C4      C1      C2      C3        0.000   0.000   0.000   0.000    high   4   C4T-C4T-C4T-C4T      ==> C4T-C4T-C4T-C4T     
 C4      C1      C2      F9        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 C4      C1      C2      F10       0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 F11     C1      C2      C3        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F11     C1      C2      F9        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F11     C1      C2      F10       0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F12     C1      C2      C3        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F12     C1      C2      F9        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F12     C1      C2      F10       0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 C2      C1      C4      C3        0.000   0.000   0.000   0.000    high   4   C4T-C4T-C4T-C4T      ==> C4T-C4T-C4T-C4T     
 C2      C1      C4      F5        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 C2      C1      C4      F6        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 F11     C1      C4      C3        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F11     C1      C4      F5        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F11     C1      C4      F6        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F12     C1      C4      C3        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F12     C1      C4      F5        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F12     C1      C4      F6        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 C1      C2      C3      C4        0.000   0.000   0.000   0.000    high   4   C4T-C4T-C4T-C4T      ==> C4T-C4T-C4T-C4T     
 C1      C2      C3      F7        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 C1      C2      C3      F8        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 F9      C2      C3      C4        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F9      C2      C3      F7        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F9      C2      C3      F8        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F10     C2      C3      C4        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F10     C2      C3      F7        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F10     C2      C3      F8        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 C2      C3      C4      C1        0.000   0.000   0.000   0.000    high   4   C4T-C4T-C4T-C4T      ==> C4T-C4T-C4T-C4T     
 C2      C3      C4      F5        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 C2      C3      C4      F6        0.793  -0.367   0.829   0.000    high   0   C4T-C4T-C4T-F        ==> F-CT-CT-CT          
 F7      C3      C4      C1        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F7      C3      C4      F5        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F7      C3      C4      F6        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F8      C3      C4      C1        0.793  -0.367   0.829   0.000    high   0   F-C4T-C4T-C4T        ==> F-CT-CT-CT          
 F8      C3      C4      F5        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           
 F8      C3      C4      F6        0.602  -2.719   0.734   0.000    high   0   F-C4T-C4T-F          ==> F-CT-CT-F           


