@MOLECULE nickel(ii) hydride 3 1 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 NI -0.0551 0.0000 0.0000 Ni 1 UNL1 -0.5621 2 H 1.6044 0.4262 0.0000 H 2 UNK2 0.2811 3 H 1.6043 -0.4262 -0.0000 H 1 UNL1 0.2810 @BOND 1 1 3 1