1test_basis: 23-21G 3method: 4scf 5followed: 6 1.0 STRE 1 5 7 + -1.0 STRE 4 5 8 9fzv: 10 11fixed: 12 13test_method: 14scf 15frequencies: 16no 17test_molecule_symmetry: 18c1 c1 19label: 20transition state optimization test series 21socc: 22auto 23state: 241 25optimize: 26yes 27az2: 28 N 0.5160760260 0.0451973481 -0.9561419416 29 H -0.1954758865 0.1783994191 -1.6584536141 30 C 0.0309525092 -0.6952693249 0.2544556467 31 C -0.0645651947 0.7712130170 0.6082299607 32 H 0.8537403740 1.0485741465 -0.3202019149 33 H -0.8881649304 -1.2248905629 0.0829489840 34 H 0.7953075079 -1.2835341809 0.7191814995 35 H -1.0478704057 1.1603101379 0.3586855646 36 37docc: 38auto 39az3: 40 N -0.3539540109 0.0396886929 -1.0611273541 41 H 0.3226775218 0.0469519210 -1.8057741733 42 C 0.1322819144 -0.6605605520 0.1165276308 43 C -0.1177861461 1.1850778836 -0.0983339144 44 H 0.6125207853 0.4301564331 0.7468703484 45 H -0.6210301987 -1.1413729505 0.7024033560 46 H 1.0763532368 -1.1648156964 0.0276286716 47 H -1.0510631026 1.2648742683 0.4605096201 48 49fzc: 50 51test_molecule_followed: 52azc2 azc3 53molecule: 54 N 0.5160760260 0.0451973481 -0.9561419416 55 H -0.1954758865 0.1783994191 -1.6584536141 56 C 0.0309525092 -0.6952693249 0.2544556467 57 C -0.0645651947 0.7712130170 0.6082299607 58 H 0.8537403740 1.0485741465 -0.3202019149 59 H -0.8881649304 -1.2248905629 0.0829489840 60 H 0.7953075079 -1.2835341809 0.7191814995 61 H -1.0478704057 1.1603101379 0.3586855646 62 63grid: 64default 65test_molecule: 66az2 az3 67azc2: 68 1.0 STRE 1 5 69 + -1.0 STRE 4 5 70 71azc3: 72 1.0 STRE 3 5 73 + -1.0 STRE 4 5 74 75transition_state: 76yes 77test_calc: 78opt 79basis: 803-21G 81checkpoint: 82no 83restart: 84no 85symmetry: 86c1 87