ORCA: pre-4.1 calculations don't print rotational constants

This is necessary now that OrcaIRTest looks for rotational constants.

Author: berquist

regressionfiles.yaml

@@ -757,7 +757,7 @@ regressions:
       - OrcaGeoOptTest_norotconsts
   - loc_entry: ORCA/ORCA4.0/dvb_ir.out
     tests:
-      - OrcaIRTest
+      - OrcaIRTest_norotconsts
   - loc_entry: ORCA/ORCA4.0/dvb_raman.out
     tests:
       - OrcaRamanTest