benzene SET: got different charging energies than in manual in SET phase

[Shan]

Dear expert,
i have a doubt which i ignored earlier.

when i calculated the charging energies of benzene in SET phase as given in benzene set manual, i got some different readings than in manual.
i used ATK 11.2.2.

values i got..
                   charging energy(i got)        charging energy(in manual)
    +2             -9.8                               -10.17
    +1             -7.9                               -7.5 
     0              -1.03                              0.1
    -1             0.722                              2.35


Am i did any wrong? But i calculated it thrice by following the manual.

please clarify...
thanks & regards
Bhushan

[Shan]

got it . this is because of the version change. i am using 11.2.2. manual is for 11.8.

[Nordland]

I would really recommend updating it to 11.2.3 or 11.8 or 12.2

[Anders Blom]

Indeed, 11.2.3 offers quite many improvements over 11.2.2, as you can read at http://quantumwise.com/publications/news-archive/127

If you email us we can provide download links for 11.2.3, your license will support it.

[Shan]

thank you very much.