molecule cf4_dimer { C 0.00000000 0.00000000 0.00000000 F 0.00000000 1.31819810 0.00000000 F -0.62140450 -0.43939940 1.07630420 F -0.62140450 -0.43939940 -1.07630420 F 1.24280900 -0.43939940 0.00000000 -- C 0.00000000 4.01000000 -0.00000000 F 0.00000000 2.69180190 -0.00000000 F -0.62140450 4.44939940 -1.07630420 F -0.62140450 4.44939940 1.07630420 F 1.24280900 4.44939940 0.00000000 } set basis aug-cc-pVDZ energy('sapt2+')