added a data file

jkitchin · Jul 18, 2014 · c7e46d5 · c7e46d5
1 parent c398c47
commit c7e46d5
Showing 1 changed file with 16 additions and 0 deletions.
diff --git a/molecules/isobutane.xyz b/molecules/isobutane.xyz
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+14
+
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+H       0.000000000000000      0.000000000000000      1.475269000000000
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+H       0.000000000000000      1.493997000000000     -1.190847000000000
+H      -0.885482000000000      1.984695000000000      0.261297000000000
+H       0.885482000000000      1.984695000000000      0.261297000000000
+C       1.255988000000000     -0.725145000000000     -0.096234000000000
+H       1.293839000000000     -0.746998000000000     -1.190847000000000
+H       2.161537000000000     -0.225498000000000      0.261297000000000
+H       1.276055000000000     -1.759198000000000      0.261297000000000
+C      -1.255988000000000     -0.725145000000000     -0.096234000000000
+H      -1.293839000000000     -0.746998000000000     -1.190847000000000
+H      -1.276055000000000     -1.759198000000000      0.261297000000000
+H      -2.161537000000000     -0.225498000000000      0.261297000000000