C 0.0 0.0 0.0 O 1.2 0.0 0.0 C 0.0 0.0 2.0 O 1.2 0.0 2.0
cdft 1 2 charge 1.0 means put charge 1 in the atom 1 and 2. If I just want to put the charge in the 1 atom, I set