...% latex2html id marker 50259 \setcounter{footnote}{1}\fnsymbol{footnote}
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
...)% latex2html id marker 50277 \setcounter{footnote}{2}\fnsymbol{footnote}
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
...% latex2html id marker 50288 \setcounter{footnote}{7}\fnsymbol{footnote}
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
...% latex2html id marker 50328 \setcounter{footnote}{8}\fnsymbol{footnote}
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
... multiplicity% latex2html id marker 51230 \setcounter{footnote}{1}\fnsymbol{footnote}
Provided that it is not an unrestricted open shell run. In this case the wavefunctions will not be spin eigenfunctions and multiplicities are not well defined. 
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
... DIIS% latex2html id marker 52304 \setcounter{footnote}{1}\fnsymbol{footnote}
P.Pulay; Chem.Phys.Lett., 73, 393 (1980), P.Pulay; J.Comput.Chem., 4, 556 (1982) 
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
... parameters% latex2html id marker 52358 \setcounter{footnote}{2}\fnsymbol{footnote}
C. C. J. Roothaan: Rev. Mod. Phys. 32 (1960) 179. 
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.