1start h3 2 3basis 4 h library 3-21G 5end 6 7scf 8 uhf 9 doublet 10 thresh 1.0e-6 11end 12 13dirdyvtst autosym 0.001 14 theory scf 15*GENERAL 16 TITLE 17 Test run: H+H2 reaction, Page-McIver CUBE algorithm, no restart, save files 18 19 ATOMS 20 1 H 21 2 H 22 3 H 23 END 24 25 SAVEFILE vecs hess 26 27*REACT1 28 GEOM 29 1 0.0 0.0 0.0 30 2 0.0 0.0 1.3886144 31 END 32 33 SPECIES LINRP 34 35*REACT2 36 GEOM 37 3 0.0 0.0 190.3612132 38 END 39 40 SPECIES ATOMIC 41 42*PROD2 43 GEOM 44 1 0.0 0.0 190.3612132 45 END 46 47 SPECIES ATOMIC 48 49*PROD1 50 51 GEOM 52 2 0.0 0.0 1.3886144 53 3 0.0 0.0 0.0 54 END 55 56 SPECIES LINRP 57 58*START 59 60 GEOM 61 1 0.0 0.0 -1.76531973 62 2 0.0 0.0 0.0 63 3 0.0 0.0 1.76531973 64 END 65 66 SPECIES LINTS 67 68*PATH 69 SSTEP 0.05 70 SSAVE 0.05 71 SLP 0.50 72 SLM -0.50 73 SCALEMASS 0.6718993 74 INTEGRA CUBE 75end 76 77task dirdyvtst 78