CCL: ADF-Bond energy analysis query

 Sent to CCL by: "sonam  bhatia" [sonamalerts|,|gmail.com]
 Dear all,
 I am interested in performing Bond energy analysis by use of ADF. I got
  windows version installed in our lab but I am the only one in our
 group using this software. As we purchased it recently and I am new to it
 so learning its basics. I am not quite confident in performing bond energy
 analysis by it. As I have performed Geometry optimization of Ph3=C=Ph3
 system and in .out file in bond energy decomposition section:
 E pauli repulsion
 E steric interaction
 E orbital interaction
 above mentioned values comes.
 I suppose interpretation of these values give us bond energy analysis.
 Whether I am right?
 1) But if suppose i have to do this analysis for particular no. of bonds
 like in Ph3=C=Ph3 system for P=C only so how I will specify this?
 2) Moreover have you used *occupation* keyword in adf which is used to
 specify particular electronic state to individual atom.
 3) if suppose for above system I have to give  s2, p-sigma2, p-pie0
 (perpendicular), p-pie0 (parallel) electronic configuration to carbon atom,
 then how with the help of occupation keyword I can assign this electronic
 configuration.
 4) While performing bonding analysis is it mandatory to give ETS-NOCV
 calculations?
 Please help me in this regard.