.xtbrc

$cmd xtb --define --copy --input .xtbrc ethanol.xyz
$date 2025/02/05 at 20:43:07.480     
$gfn
   method=2
   scc=true
   periodic=false
   dispscale=1.0000000000000000
$scc
   maxiterations=250
   temp=300.00000000000000
   broydamp=0.40000000000000000
$opt
   optlevel=normal
   microcycle=20
   maxcycle=0
   maxdispl=1.0000000000000000
   hlow=0.10000000000000000E-1
   hessian=old
   s6=20.000000000000000
   kstretch=0.40000000000000000
   kbend   =0.13000000000000000
   ktorsion=0.75000000000000000E-2
   koutofp =0.0000000000000000
   kvdw    =0.0000000000000000
   kes     =0.0000000000000000
   rcut    =8.3666002653407556
   ts=0
   tsroot=0
   exact rf=false
   average conv=false
$thermo
   temp=298.15000000000000
   sthr=50.000000000000000
   imagthr=-20.000000000000000
   scale=1.0000000000000000
$md
   temp=298.15000000000000
   time=50.000000000000000
   dump=50.000000000000000
   velo=0
   nvt=1
   skip=500
   step=4.0000000000000000
   hmass=4
   shake=2
   sccacc=2.0000000000000000
   forcewrrestart=0
$siman
   dump=1000.0000000000000
   n=3
   ewin=20.000000000000000
   temp=1000.0000000000000
   enan=0
   check=0
$hess
   sccacc=0.29999999999999999
   step=0.50000000000000001E-2
   scale=1.0000000000000000
$modef
   n=31
   step=1.0000000000000000
   updat=0.20000000000000000
   local=0
   vthr=0.0000000000000000
   prj=0
   mode=7
$cube
   step=0.40000000000000000
   pthr=0.50000000000000000E-1
$symmetry
   desy=0.10000000000000000
   maxat=200
$embedding
   at=7
   es=true
$write
   esp=false
   mos=false
   gbw=false
   tm mos=false
   tm basis=false
   lmo=false
   density=false
   spin population=false
   spin density=false
   fod=false
   fod population=false
   wiberg=true
   wbo fragments=false
   dipole=true
   charges=true
   mulliken=true
   orbital energies=true
   inertia=true
   distances=true
   angles=false
   torsions=false
   final struct=true
   geosum=true
   stm=false
   modef=false
   gbsa=false
   vib_normal_modes=false
   hessian.out=false
$external
$path
   nrun=3
   npoint=50
   anopt=3
   kpush=0.50000000000000003E-1
   kpull=-0.40000000000000001E-1
   ppull=0.50000000000000003E-1
   alp=0.69999999999999996
$split
   fragment: 1,1-9
$wall
   potential=polynomial
   alpha=30
   beta=6.0000000000000000
   temp=300.00000000000000
   autoscale=1.0000000000000000
   axisshift=3.5000000000000000
$reactor
   max=50
   density=1.0000000000000000 # in kg/L
   kpush=0.50000000000000003E-1
   alp=0.69999999999999996
$end