Fix numbering of states

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Ekisei Lee

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Jul 10, 2025, 5:43:20 PMJul 10
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Hi Molpro community,
Is there a way to fix how molpro marks orbitals? In my PES calculation, state 5.1 should be bonding orbital, but later after a discontinuity in PES I see from molden that state 5.1 becomes the antibonding orbital, which causes the jump in the PES. How can I solve the problem? 
Best,
Eki
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