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##

Conversion of Cartesian Coordinates, Gradients and Force
Constants to Internals

To perform this tasks, you have to activate the interconversion mode by
$interconversion on
cartesian --> internal coordinate gradient hessian

Note that any combination of the three options showed is allowed! The
default value is `coordinate`

, the two other have to be switched on
explicitly if desired.
You need as input data groups:

`intdef`
- Definitions of (redundant) internal
coordinates
`coord`
- Cartesian coordinates (for option
`
`coordinate`

')
`grad`
- Cartesian coordinates and gradients as
provided and accumulated in subsequent optimization cycles by the
various gradient programs (for
`coordinate`

and
`gradient`

)
`hessian`
- Analytical force constant matrix (as
provided by the force constant program
`aoforce`) (only if option
`hessian`

is specified). The data group `$hessian`
`(projected)`

may be used alternatively for this purpose.

All output will be written to the screen except for option
`hessian`

(output to data group `$forceapprox`)

TURBOMOLE M