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All results from a given calculation for C3H7OH (1-Propanol)

using model chemistry: TPSSh/aug-cc-pVDZ

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 2 yes C1 1A

Conformer 1 (CS)

Jump to S1C2
Vibrational Frequencies calculated at TPSSh/aug-cc-pVDZ
Rotational Constants (cm-1) from geometry optimized at TPSSh/aug-cc-pVDZ
See section I.F.4 to change rotational constant units
Geometric Data calculated at TPSSh/aug-cc-pVDZ
Electronic energy levels An error occurred on the server when processing the URL. Please contact the system administrator.

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