**DIRAC
.TITLE
  atomic test calculations
.WAVE FUNCTION
.ANALYZE
.4INDEX
**GENERAL
.PCMOUT
**INTEGRALS
*READIN
.UNCONTRACTED
**HAMILTONIAN
.X2C
*AMFI
.AMFICH
+2
**WAVE FUNCTION
.SCF
.RELCCSD
*SCF
# Pm-like (Z=61) : ... 4f(14) 5s(0) 5p_average(1) 
.CLOSED SHELL
28 32
.OPEN SHELL
1
1/0,6
# reads MOs
.MAXITR
3  
**ANALYZE
.MULPOP
*MULPOP
.VECPOP
1..oo
1..oo
**MOLTRA
# exactly 33 correlated electrons...
.ACTIVE
energy -50.0  50.0  1.0
energy -50.0  50.0  1.0
**RELCC
.ENERGY
.TIMING
.PRINT
1
# 33 correlated electrons, 5p_average(1) open-shell
!.NELEC
!6  6  11  10
# 1g  -1g   3g  -3g   5g  -5g
.NEL_F1
3  3  2  2  1  1
# 1u  -1u  3u  -3u   5u  -5u   7u  -7u
.NEL_F2
4  4  3  4  2  2  1  1
*CCENER
.DHOLU
1.0D-4
.NTOL
7
*CCSORT
!.USEOE
*END OF