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Add cyclopentadiene.xyz

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This commit is contained in:
Mickaël Véril 2020-10-27 10:21:05 +01:00
parent 8924440d7f
commit fbfb5d99d6
1 changed files with 13 additions and 0 deletions
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13
cyclopentadiene/cc-pvdz/cyclopentadiene.xyz Normal file
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C 0.00000000 0.00000000 -2.33113051
C 0.00000000 2.22209092 -0.56871188
C 0.00000000 -2.22209092 -0.56871188
C 0.00000000 1.38514451 1.83772922
C 0.00000000 -1.38514451 1.83772922
H 1.66130504 0.00000000 -3.56414299
H -1.66130504 0.00000000 -3.56414299
H 0.00000000 4.16550405 -1.18116624
H 0.00000000 -4.16550405 -1.18116624
H 0.00000000 2.54514584 3.51352303
H 0.00000000 -2.54514584 3.51352303