TITLE CH4 BASIS TZ2P ATOMS H0 1 0.0000000000 0.0000000000 -1.7050933273 H1 1 0.0000000000 0.0000000000 0.0000000000 C1 6 0.0000000000 0.0000000000 2.6275246570 H2 1 -0.9971782255 1.7271633508 3.1074726465 H2 1 -0.9971782255 -1.7271633508 3.1074726465 H2 1 1.9943564510 0.0000000000 3.1074726465 END UHF MULTIPLICITY 2 DFT KOHNSHAM VFOCK OFF MOBASIS OFF EM LEBEDEV functional QUAD 1 END CONVERGE 7 SECDER START FCM GRADTOL 5 CONVERGE 7 OPTIMISE SADDLE START CONVERGE 7 SECDER START FINISH