%chk=\\icnas1.cc.ic.ac.uk\cah12\Desktop\Yr3 Transition Structures\ChairTSOptHF.chk # opt=(ts,noeigen) freq rhf/3-21g** geom=connectivity Title Card Required 0 1 C 0.95973400 -1.21840200 0.25414700 C 1.43264500 0.00005600 -0.26303400 C 0.95966300 1.21830400 0.25454700 H 0.81853900 -1.29814900 1.32950900 H 1.31679600 -2.14440000 -0.19357900 H 1.31676600 2.14454400 -0.19264500 H 0.81797200 1.29760000 1.32987700 H 1.82505300 0.00022400 -1.27978500 C -0.95961800 1.21827900 -0.25460800 C -1.43260000 0.00012400 0.26321300 C -0.95987300 -1.21829900 -0.25420600 H -0.81810200 1.29718600 -1.32998700 H -1.31671600 2.14462700 0.19235000 H -1.31678500 -2.14440200 0.19341300 H -0.81846500 -1.29792800 -1.32954400 H -1.82476900 0.00032600 1.28003800 1 2 1.5 4 1.0 5 1.0 2 3 1.5 8 1.0 3 6 1.0 7 1.0 4 5 6 7 8 9 10 1.5 12 1.0 13 1.0 10 11 1.5 16 1.0 11 14 1.0 15 1.0 12 13 14 15 16