6 SN2 IRC starting geometry; B3LYP/TZP; total charge -1; atom order Cl1 C2 Cl3 H4 H5 H6 Cl -5.07462281998366 -0.6029439769641139 -0.0343824494421804 C -2.717998986080669 -0.5413067625319439 -0.00008426080997616864 Cl -0.358775218468969 -0.479573328137737 0.03476228889833215 H -2.70280988556006 -0.53984580907618 -1.06974249956269 H -2.75059817038023 0.384040059065694 0.53567013705991 H -2.70226204332674 -1.46819047725839 0.533776783856597