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===== Working title: re_2010_02a =====
{{:ncpchem:re_2010_02a.png?180|Working title: re_2010_02a}}

===== B3LYP equilibrium structure =====

<file txt re_2010_02a.xyz>
21

Re      -1.855269   -0.889887   -0.686164
O       -2.297749    0.353268    0.343724
O       -0.504292   -0.283577   -2.124690
C        1.545938   -1.178888   -1.259016
C       -3.093171   -0.730268   -2.423072
N       -0.284793   -2.079421    0.064218
S       -3.068374   -2.786251   -0.225857
C       -1.869446   -3.832731    0.750451
C       -0.677941   -2.989831    1.167263
H       -1.561607   -4.673318    0.107425
H       -2.389506   -4.240784    1.630078
H        0.179246   -3.621434    1.458044
H       -0.949670   -2.361949    2.033404
C        0.990327   -1.993958   -0.248125
H       -4.159831   -0.927515   -2.234046
H       -2.738272   -1.469989   -3.161636
H       -2.955765    0.269163   -2.869561
C        0.783330   -0.405428   -2.112829
H        1.293336    0.164242   -2.906348
H        2.626278   -1.198455   -1.400040
H        1.684779   -2.628550    0.321746
</file>

===== B3LYP infrared spectrum =====

The most intense mode 30 is at 1050.5 cm<sup>-1</sup>

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