In　order　to　explore　systematically　new　organometallic　complexes　exhibiting　large　second　harmonic　generation　effect　and　comprehensive　good　properties,　it　is　neccessary　to　probe　deeply　into　the　relationship　between　the　property　and　the　structure,　so　we　has　been　advanced　second　order　palarizability　vector　medel.　This　paper　disccusses　emphatically　the　main　points　of　the　vector　model,　the　optimation　of　electronc　structure　and　molecular　structure　for　organometallic　complex　crystals,　and　mean　square　of　the　second　order　polarzabitity　which　reflect　synthetically　the　frequency　doubling　effect　of　the　crystal.　Base　on　the　discussion　we　provide　the　information　for　the　exploration　and　development　of　the　this　types　crystal　materials.