***,Na2
! Potential curve of the Na2 molecule
! using 1-ve ECP + CPP
gprint,basis,orbitals;
rvec=[2.9,3.0,3.1,3.2,3.3] ang
do i=1,#rvec
rNa2=rvec(i)
geometry={na;na,na,rNa2}
basis={
ecp,na,ecp10sdf;        ! ecp input
s,na,even,8,3,.5;       ! basis input
p,na,even,6,3,.2;
d,na,.12,.03;
}
cpp,init,1;             ! CPP input
na,1,.9947,,,.62;
hf;
ehf(i)=energy
{cisd;core;}
eci(i)=energy
enddo
table,rvec,ehf,eci
---