Hello
Partha,
A transition metal has many unoccupied lone
pairs, numbered from lp*(1) to lp*(n).
The easy way to find which
hybrid orbital corresponds to an NBO is to visualize it,
But,
take care, first of all try to draw the Lewis structure, by using the list of
NBOs,
because NBO method frequently gives crazy Lewis structures for
transition metal
compounds.
Hope this
help
you,
Sergio
Prof. Dr. Sergio Emanuel Galembeck
Computational
Quantum Chemistry Laboratory
Departamento de Química -
FFCLRP-USP
Av. Bandeirantes, 3900
14040-901 - Ribeirao
Preto-SP
Brasil
phone:
+55(16)33153765