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File coord

$coord
     .00000000000000       .00000000000000       .00000000000000      ta
    2.19392179448315     -3.79998401587749       .00000000000000      cl
    2.19392179448315      3.79998401587749       .00000000000000      cl
   -4.38784358896629       .00000000000000       .00000000000000      cl
     .00000000000000       .00000000000000      4.46615918865523      cl
     .00000000000000       .00000000000000     -4.46615918865523      cl
$intdef
# definitions of internal coordinates
   1 k  1.0000000000000 stre    1    2           val=   4.38784
   2 k  1.0000000000000 stre    1    5           val=   4.46616
$end



TURBOMOLE