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 LQA algorithm, no restart 18 19 ATOMS 20 1 H 21 2 H 22 3 H 23 END 24 25*REACT1 26 GEOM 27 1 0.0 0.0 0.0 28 2 0.0 0.0 1.3886144 29 END 30 31 SPECIES LINRP 32 33*REACT2 34 GEOM 35 3 0.0 0.0 190.3612132 36 END 37 38 SPECIES ATOMIC 39 40*PROD2 41 GEOM 42 1 0.0 0.0 190.3612132 43 END 44 45 SPECIES ATOMIC 46 47*PROD1 48 49 GEOM 50 2 0.0 0.0 1.3886144 51 3 0.0 0.0 0.0 52 END 53 54 SPECIES LINRP 55 56*START 57 58 GEOM 59 1 0.0 0.0 -1.76531973 60 2 0.0 0.0 0.0 61 3 0.0 0.0 1.76531973 62 END 63 64 SPECIES LINTS 65 66*PATH 67 SSTEP 0.05 68 SSAVE 0.05 69 SLP 0.50 70 SLM -0.50 71 SCALEMASS 0.6718993 72 INTEGRA LQA 73end 74 75task dirdyvtst 76