/usr/share/doc/mpqc/examples/mp2r12aph2o.in is in mpqc 2.3.1-18build1.
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 | molecule:
O 0.172 0.000 0.000
H 0.745 0.000 0.754
H 0.745 0.000 -0.754
optimize: no
checkpoint: no
method: MP2-R12/A'
basis: cc-pVDZ
auxbasis: aug-cc-pVTZ
|