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note
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37049129910
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33
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33749328710
-
-
note
-
-1 less stable than the trans isomer in the ground state at the CASSCF(6,6)/ LANL2DZ level.
-
-
-
-
34
-
-
33749349153
-
-
note
-
-1 at the HF/LANL2DZ+6-31G(d) level.
-
-
-
-
35
-
-
33749366978
-
-
note
-
-1, R = 0.0481 (I > 2σ(I)), wR2 = 0.1531 (all data), GOF = 1.369.
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-
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