10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 13:12:16 +02:00
quantum_package/tests/methane.xyz
2015-03-18 11:38:55 +01:00

8 lines
286 B
Plaintext

5
methane molecule (in ångströms)
C 0.000000 0.000000 0.000000
H 0.000000 0.000000 1.089000
H 1.026719 0.000000 -0.363000
H -0.513360 -0.889165 -0.363000
H -0.513360 0.889165 -0.363000