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You can submit a Dalton job (test.dal, test.mol) with the following command

bsub [LSF options] "dalton [Dalton options] test"

Here you need to replace [Dalton options] with Dalton command line options and [LSF options] with LSF parameters for the resource requirements of the job. Please find a documentation about the parameters of bsub on the wiki page about the batch system.