SiF4.mol -ISIS- 3D 5 4 0 0 0 0 0 0 0 0 0 -0.0001 -0.0013 -0.0003 Si 0 0 0 0 0 1.6012 -0.0046 0.0005 F 0 0 0 0 0 -0.5385 1.5070 0.0000 F 0 0 0 0 0 -0.5310 -0.7506 1.3121 F 0 0 0 0 0 -0.5317 -0.7507 -1.3123 F 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 M END