geometry={o;h,o,r;h,o,r,h,theta}
r=1 angstrom, theta=104 degree
basis,cc-pvqz
rhf
{casscf;closed,2;expec,delta,o;expec,delta,h}
put,xml,h2ocasscf.xml
if (.not.iswindows) then
system,'./evaluate-charge-density.py',' h2ocasscf.xml',' > basis-from-xml.log'
endif