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All results from a given calculation for CH2ClCH2Cl (Ethane, 1,2-dichloro-)

using model chemistry: B2PLYP=FULL/6-31+G**

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 2 yes C2 1A

Conformer 1 (C2H)

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Vibrational Frequencies calculated at B2PLYP=FULL/6-31+G**
Rotational Constants (cm-1) from geometry optimized at B2PLYP=FULL/6-31+G**
See section I.F.4 to change rotational constant units
Geometric Data calculated at B2PLYP=FULL/6-31+G**
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability

Conformer 2 (C2)

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