@MOLECULE formic acid 5 4 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -0.0049 1.5203 0.0000 H 1 UNL1 0.1565 2 C 0.1105 0.4387 -0.0000 C.2 1 UNL1 0.5417 3 O 1.1070 -0.2300 0.0000 O.2 1 UNL1 -0.4890 4 O -1.1189 -0.1250 0.0000 O.3 1 UNL1 -0.5660 5 H -1.1232 -1.1128 -0.0001 H 1 UNL1 0.3568 @BOND 1 5 4 1 2 1 2 1 3 2 3 2 4 2 4 1