hf_dc.inp

**DIRAC
.WAVE FUNCTION
.PROPERTIES
.ANALYZE
**GENERAL
#.PCMOIN
.PCMOUT
**HAMILTONIAN
.LVCORR
**INTEGRALS
.NUCMOD
 2
*TWOINT
.SCREEN
 1.0D-17
*READIN
.UNCONTRACT
**WAVE FUNCTION
.DHF
*DHFCAL
.EVCCNV
 2.0D-6 1.0D6
.ITRINT
 0 0
.MAXITR
 20
**PROPERTIES
.PVC
**ANALYZE
.MULPOP
*MULPOP
.VECPOP
 1..oo
*END OF

The Re basis set is here.

peter_re.mol

INTGRL
.
.
C   5    0         A
       1.    18
H    -0.371985    0.361158    3.360173
H    -1.249933    1.668296    2.543733
H     0.344635    1.986269    3.274158
H     0.120546    3.752633    1.079121
H    -1.249966    2.999393    0.231132
H     0.105649    3.682243   -0.698671
H     1.191978    2.703717   -2.248509
H     1.584274    1.076792   -2.839124
H     2.822191    2.034025   -2.007816
H     2.665297   -1.030894   -1.952742
H     2.882367   -1.953814   -0.453257
H     3.836952   -0.479981   -0.736552
H     2.010513   -2.217677    1.677096
H     0.926877   -1.498650    2.881732
H     2.598293   -0.909713    2.731438
H     0.403175   -0.955628   -2.732366
H    -1.337427   -1.268628   -2.460953
H    -0.787617    0.400139   -2.654302
LARGE BASIS cc-pVDZ
       6.    11
C     1.302198   -0.232434    1.157759
C     1.777827   -0.105898   -0.209300
C     1.339234    1.207806   -0.692280
C     0.536890    1.802365    0.281770
C     0.412866    0.891082    1.412460
C    -0.250350    1.242395    2.714657
C    -0.155636    3.128356    0.213057
C     1.746534    1.785291   -2.013584
C     2.840718   -0.938079   -0.870808
C     1.725857   -1.273323    2.161382
C    -0.506484   -0.578918   -2.241290
LARGE BASIS cc-pVDZ
       8.     1
O    -0.905077   -2.173340    0.222830
LARGE BASIS cc-pVDZ
      17.     1
Cl   -2.461520    0.597973   -0.244869
LARGE BASIS cc-pVDZ
      75.     1
Re   -0.412209   -0.595166   -0.098696
LARGE BASIS pnc_ir
FINISH