***, EOM-CCSD, vector following procedure
basis=avdz ! define basis set
geometry={h;f,h,r} ! z-matrix
r=0.92 Ang ! define distance
hf;save,2100.2 ! do SCF calculation, save orbitals
cis,-4.4,exfile=6000.2 ! do CIS calculation, save amplitudes
ccsd;save,4000.2 ! do CCSD calculation, save amplitudes
eom,-4.4,checkovlp=1,exfile=6000.2 ! do EOM-CCSD calculation,
! check overlap of singles with CIS vectors
! stored in record given in exfile
eompar,inisingl=200,inidoubl=0 ! for first approximation take 200 single CSF
! of approximate hamiltonian
ccsd;start,4000.2 ! do CCSD calculation, try to restart
eom,2.4,follow=2,exfile=6000.2,checkovlp=1 ! do EOM-CCSD calculation for state closest
! to 2.4 CIS state, check overlap of singles
! with CIS vectors stored in exfile
eompar,inisingl=200,inidoubl=0
eomprint,loce=1 ! print overlaps of sample and EOM vectors in
! each iteration