What are the limitations of VSEPR theory ?? Share with your friends Share 0 Yasodharan answered this Dear Student, VSEPR theory fails to predict.. The shapes of isoelectronic species Transition metal compounds which include inert pair effect. Regards. 2 View Full Answer Surbhi Vashisht answered this The theoretical basis of VSEPR theory regarding the effects of electron pair repulsion on molecular shapes is not well explained. This is main limitation of VSEPR theory. 1