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All results from a given calculation for C6H12 ((1r,3r)-1,3-dimethylcyclobutane)

using model chemistry: HSEh1PBE/TZVP

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 2 yes CS 1A'

Conformer 1 (C2H)

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Vibrational Frequencies calculated at HSEh1PBE/TZVP
Rotational Constants (cm-1) from geometry optimized at HSEh1PBE/TZVP
See section I.F.4 to change rotational constant units
Geometric Data calculated at HSEh1PBE/TZVP
Electronic energy levels
Charges, Dipole, Quadrupole and Polarizability

Conformer 2 (CS)

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