quack/examples/molecule.C2

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# nAt nEla nElb nCore nRyd
 2   6     6   0     0
# Znuc   x            y           z
  C     0.           0.         0.
  C     0.           0.         2.0
clean up 2020-01-17 13:45:02 +01:00			`# nAt nEla nElb nCore nRyd`
UMP2 2020-09-18 13:52:35 +02:00			`2 6 6 0 0`
removing examples 2019-03-19 10:18:03 +01:00			`# Znuc x y z`
clean up 2020-01-17 13:45:02 +01:00			`C 0. 0. 0.`
			`C 0. 0. 2.0`