$FMOBND group                 (optional, for FMO runs)                          
The atom indices involved in the bond detachment are given,                     
in pairs for each bond.  Bonds are always detached between                      
fragments, layers in multilayer FMO are defined fragment-                       
wise, i.e., whole fragments are assigned to layers.                             
-I1 J1 NAM1,1 NAM1,2 ... NAM1,n ICH1 IMUL1                                      
-I2 J2 NAM2,1 NAM2,2 ... NAM2,n ICH2 IMUL2...                                   
I and J are positive integers giving absolute atom indices.                     
NAMs are hybrid orbital set names, defined in $FMOHYB.                          
Each line is allowed to have different set of NAMs, which                       
can happen if different type of bonds are  detached, for                        
example, one line describing C-C bond and another C-N.                          
Every bond given is detached in such a way that the I-atom                      
will get nothing of it, effectively remove one electron                         
(1/2 of a single covalent bond) from its  fragment. The J-                      
atom will get all of the bond and thus adds one electron to                     
its fragment (e.g., formally heterolytic assignment,                            
although in practice all electrons remain through the                           
Coulomb field).  The number 'n' above is the number of                          
ICH and IMUL are ignored in FMO/HOP. For FMO/AFO, they                          
define the charge and multiplicity of the model system                          
constructed for the given bond (both 0 by default). IMUL                        
follows the same rules and in $CONTRL. In FMO/AFO any name                      
should be used in place of NAM as NONE, if ICH or MUL                           
should be specified, otherwise only -I and J may be given                       
(i.e., omitting NAM, ICH and MUL).                                              
 (default: nothing, that is, no detached bonds).                                
Example, for a two-layer run with STO-3G and 6-31G* in the                      
first and second layers, respectively.                                          
-10 15 STO-3G 6-31G*                                                            
-20 27 STO-3G 6-31G*                                                            

generated on 7/7/2017