732a733,757
>          case ("pm6")
>               rs6=1.18
>               alp = 22.0
>               s6=0.88
>               s18=0.0
>          case ("scc-dftb")
>               rs6=1.215
>               alp = 30.0
>               s18=0.0
>          case ("pm3")
>               rs6=0.90
>               alp = 22.0
>               s18=0.0
>          case ("am1")
>               rs6=0.90
>               alp = 15.0
>               s18=0.0
>          case ("rm1")
>               rs6=1.0
>               alp = 16.0
>               s18=0.0
>          case ("om3")
>               rs6=1.14
>               alp = 23.0
>               s18=0.0