@MOLECULE acetonitrile - dichloropalladium (2:1) 9 8 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 PD 1.0202 0.5309 0.0005 Pd 1 UNL1 0.5753 2 CL 2.8614 -0.4647 -0.0038 Cl 1 UNL1 -0.5196 3 CL -0.0168 -1.6953 0.0021 Cl 1 UNL1 0.0612 4 N -2.1328 -0.1589 0.0010 N.3 1 UNL1 0.1809 5 C -0.8791 -0.2362 0.0015 C.3 1 UNL1 -0.4345 6 C 0.6626 1.6194 0.0032 C.2 1 UNL1 0.3260 7 N -5.8060 0.2954 -0.0035 N.1 1 UNL1 -0.1980 8 C -4.6536 0.1497 -0.0018 C.1 1 UNL1 0.1845 9 C -3.3060 -0.0193 0.0008 C.3 1 UNL1 -0.1756 @BOND 1 2 1 1 2 7 8 3 3 8 9 1 4 1 5 1 5 1 6 2 6 9 4 1 7 4 5 1 8 5 3 1