TITLE r14 trans state BASIS TZ2P ATOMS H 1 2.2001081730 0.0000000000 0.0000000000 F 9 0.0000000000 0.0000000000 0.0000000000 H 1 -2.2001081730 0.0000000000 0.0000000000 END MULTIPLICITY 2 UHF DFT KOHNSHAM MOBASIS OFF VFOCK OFF EM LEBEDEV QUAD 1 functional END CONVERGE 7 SECDER START FCM GRADTOL 5 CONVERGE 7 OPTIMISE SADDLE START CONVERGE 7 SECDER START FINISH