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Transform the Gradients in Cartesian Coordinates to Internal Coordinates.

Modify input.dat.

intder : (
derlvl = 1
trans_1der = true
trans_type = c_to_i
freq_anal = none
trans_dipder = false
multi = `The number of displacements plus one(for the equilibrium geometry).'
)

Type intder to create file12.dat which contains the gradients in internal coordinates.



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Tue Aug 12 10:50:18 EDT 1997