===== Working title: re_2010_01a =====
{{:ncpchem:re_2010_01a.png?180|Working title: re_2010_01a}}

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

<file txt re_2010_01a.xyz>
18

C     2.369654    0.403425   -0.473504
C     1.143300   -0.009618    0.330878
C     1.158890   -1.473221    0.777415
S    -0.538874   -1.903622    1.324352
O    -0.021689    0.154760   -0.468682
H     1.048094    0.633521    1.227477
H     3.283260    0.286468    0.131780
H     2.289277    1.457735   -0.778881
H     2.464198   -0.214710   -1.380425
Re   -1.801795   -0.550103   -0.218897
O    -3.123399   -0.906109    0.793203
O    -2.118378   -1.206865   -1.747871
C    -2.306149    1.515439   -0.282060
H    -3.388352    1.628880   -0.439546
H    -2.030184    1.938556    0.698503
H    -1.726452    2.010694   -1.071502
H     1.460309   -2.134080   -0.051293
H     1.838291   -1.631149    1.629053
</file>


===== B3LYP simulated IR spectrum =====