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33644921088
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note
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y components, 2.42, is very close to the sum at the other geometries.
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46
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33644906003
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note
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The vertical excitation energies for the 3p ← π transitions in ethylene were calculated at the EOM-EE-CCSD/6-311(2+,2+)G** level of theory (spherical functions were used). The orientation of the molecule was as follows: the carbon atoms are on the x axis, xy is the plane of the molecule, and the z axis is perpendicular to the plane. The ionization potential was calculated at the EOM-IP-CCSD/6-311(2+,2+)G** level of theory.
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