/usr/share/doc/psi4/examples/fci-dipole.dat is in psi4-data 1:0.3-5.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 | #! 6-31G H2O Test FCI Energy Point
memory 250 mb
molecule h2o {
O 0.0000000000 0.0000000000 -0.1252739752
H 0.0000000000 1.4294907237 0.9940944482
H 0.0000000000 -1.4294907237 0.9940944482
units bohr
}
set globals {
basis 6-31G
dipmom true
print 2
}
thisenergy = energy('fci')
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