CHARGE=1 PM7 Helium potassium cation <He-K> GR=HF631G GWT=10 He 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 K 3.15500000 +1 0.0000000 +0 0.0000000 +0 1 0 0