@MOLECULE sodium hydroxide 3 2 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -2.0034 -0.0178 0.0000 H 1 UNL1 0.3815 2 O -1.1338 0.0016 -0.0000 O.3 1 UNL1 -1.1631 3 NA 0.8769 -0.0003 0.0000 Na 1 UNL1 0.7815 @BOND 1 1 2 1 2 2 3 1