[molpro-user] Regarding valence orbital

[Rameswar Bhattacharjee]

Dear all molpro user,
I am a new user of molpro package.So I am getting problem in understanding
some basic thing.In example directory their is a out file
"h2o_casscf.out".It is a cas calculation of water molecule.Now water has 10
electrons so it should have 5 valence orbital.But in the mentioned .out
file I saw electron distribution is like following

--------------------------------------------------------------------------------------------------
 NUCLEAR CHARGE:                   10
 NUMBER OF PRIMITIVE AOS:          41
 NUMBER OF SYMMETRY AOS:           40
 NUMBER OF CONTRACTIONS:           24   (  11A1  +   4B1  +   7B2  +   2A2
)
 NUMBER OF CORE ORBITALS:           1   (   1A1  +   0B1  +   0B2  +   0A2
)
 NUMBER OF VALENCE ORBITALS:        6   (   3A1  +   1B1  +   2B2  +   0A2
)

---------------------------------------------------------------------------------------------------

So it shows that water contain 6 valence orbital and I am not getting how
it is possible.
Can anybody tell me how molpro defining number of valence orbital? Dose it
mean different concepts than my general understanding? Any suggestion will
be highly appreciated.Thank you.

Regards
Rameswar
-- 
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*"The man who makes no mistakes does not usually make anything."*
*                                  Edward John Phelps (1822-1900)*
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Rameswar Bhattacharjee
Junior Research Fellow
Dept. of Spectroscopy
Indian Association for the Cultivation of Science
Jadavpur, Kolkata-32
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