/usr/share/psi/samples/ocepa-freq1/input.dat is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 | #! OCEPA cc-pVDZ freqs for C2H2
memory 250 mb
molecule {
0 1
C 0.000000000000 0.000000000000 0.613925250708
C 0.000000000000 -0.000000000000 -0.613925250708
H 0.000000000000 -0.000000000000 1.692424754459
H 0.000000000000 -0.000000000000 -1.692424754459
}
set {
basis cc-pvdz
guess sad
mo_maxiter 200
}
frequencies('ocepa',dertype=0)
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