quack/examples/molecule.H2

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# nAt nEl nEla nElb nCore nRyd
  2   2   1     1   0     0
# Znuc   x            y           z
  H     0.           0.         -0.7
  H     0.           0.         +0.7
removing examples 2019-03-19 10:19:41 +01:00			`# nAt nEl nEla nElb nCore nRyd`
			`2 2 1 1 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
			`H 0. 0. -0.7`
			`H 0. 0. +0.7`