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Up: 54.3 The VIBSTATE program
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This directive specifies the occupation number vector of the vibrational state to be calculated.
- The th mode of the moecule is supposed to have the quantum number m. If several modes are excited, the option can be
repeated accordingly, e.g. VSTATE,MODE(1)=3,MODE(3)=2,MODE(6)=2. All other modes are not excited and thus have the
quantum number 0.