=== Example input file ===
**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
=== Example molecule file ===
The Re basis set is [[ncpchem:basis_sets|here]].
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