[molpro-user] orbital coefficients!

[Wang Mingwei]

Hi everyone,

I am confused with the electron orbitals coefficients of a rohf result. I 
don't know what do these coefficients mean? I attach the output file.
the following input file:
 memory,100,m
 gprint,orbital,basis
 geomtyp=xyz
 geometry={
 z;
 11
 This is geometry input for Ti2Cl9 with an xyz file
 Ti       0.000   0.000  -1.608
 Ti       0.000   0.000   1.608
 Cl      -0.295   1.881   0.000
 Cl       1.777  -0.685   0.000
 Cl      -1.481  -1.196   0.000
 Cl       0.317  -2.021  -2.791
 Cl      -1.909   0.736  -2.791
 Cl       1.592   1.285  -2.791
 Cl      -1.909   0.736   2.791
 Cl       0.317  -2.021   2.791
 Cl       1.592   1.285   2.791
 }

 basis
 Ti=ecp1
 Cl=STO-3G
 end
  
 rhf,occ,53,38;
 wf,164,1,2
 orbprint,10;

***********************
Mingwei Wang
College of Chemistry and Molecular Engineering
Peking University
Beijing, P. R. China
***********************
mingwei at hpsv.pku.edu.cn