{#
software = "xtb"
jobtype = "scan"
requires = []
description = "Relaxed surface scan"
#}
$constrain
   force constant=0.5
   distance: 1, 4, 0.5
   angle: 2, 1, 3, 150.0
   dihedral: 2, 1, 3, 4, auto
$scan
   mode=concerted
   1:   0.5,  1.4, 60
   2: 150.0, 90.0, 60
$opt
   maxcycle=5
$end
