@MOLECULE benzaldehyde; carbon monoxide; chromium 15 11 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CR -4.0272 -0.8023 -0.2575 Cr.oh 1 UNL1 0.5816 2 O -5.1033 -0.2692 0.6817 O.2 1 UNL1 -0.6842 3 O 0.0598 6.5711 0.0116 O.2 1 UNL1 -0.4419 4 O 3.3247 -1.7531 -1.7672 O.2 2 UNL2 -0.4843 5 O 2.0726 -1.9404 2.1512 O.2 3 UNL3 -0.4810 6 C -0.7290 -0.6215 -0.5228 C.1 1 UNL1 -0.5406 7 C 5.4591 0.7795 0.5049 C.3 1 UNL1 0.5812 8 C 0.5289 -0.3295 -0.3249 C.1 1 UNL1 0.5764 9 C 4.2114 0.4955 0.2865 C.1 1 UNL1 -0.7724 10 C 1.7393 -0.0465 -0.1378 C.1 1 UNL1 -0.5542 11 C 2.9963 0.2028 0.0691 C.1 1 UNL1 0.6879 12 C -1.9488 -0.8672 -0.6763 C.1 1 UNL1 0.1237 13 C -0.0070 5.4338 -0.0114 C.2 1 UNL1 0.4419 14 C 3.1841 -2.5986 -2.5232 C.2 2 UNL2 0.4851 15 C 1.5281 -2.4499 3.0155 C.2 3 UNL3 0.4809 @BOND 1 14 4 2 2 12 6 3 3 12 1 1 4 6 8 1 5 8 10 3 6 1 2 2 7 10 11 1 8 13 3 2 9 11 9 3 10 9 7 1 11 5 15 2