fparser/parser/methane.xyz

mirror of https://github.com/TREX-CoE/fparser.git synced 2024-07-22 10:47:46 +02:00
5
Methane
  H      0.5288      0.1610      0.9359
  C      0.0000      0.0000      0.0000
  H      0.2051      0.8240     -0.6786
  H      0.3345     -0.9314     -0.4496
  H     -1.0685     -0.0537      0.1921
more cleanup of files 2021-03-26 00:48:53 +01:00			`5`
			`Methane`
			`H 0.5288 0.1610 0.9359`
			`C 0.0000 0.0000 0.0000`
			`H 0.2051 0.8240 -0.6786`
			`H 0.3345 -0.9314 -0.4496`
pretty print 2021-03-26 01:45:43 +01:00			`H -1.0685 -0.0537 0.1921`