%chk=BF4_optimisation.chk # opt b3lyp/6-311+g(d,p) geom=connectivity scf=conver=9 int=ultrafine optimisation of BF4 anion -1 1 F -0.10069151 1.59792869 1.10227059 F -1.90069930 0.96155508 0.00000000 F -0.10071474 -0.31125922 0.00000000 F -0.10069151 1.59792869 -1.10227059 B -0.55069930 0.96153845 0.00000000 1 5 1.0 2 5 1.0 3 5 1.0 4 5 1.0 5