/usr/share/doc/mpqc/examples/zapt2ch2.in is in mpqc 2.3.1-11ubuntu1.
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 | multiplicity: 3
molecule:
C 0.000 0.000 -0.100
H 0.000 0.857 0.596
H 0.000 -0.857 0.596
checkpoint: no
method: ZAPT2
basis: cc-pVDZ
|