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All results from a given calculation for C2H2F2 (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: HF/6-311+G(3df,2p)

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C2H 1Ag
Energy calculated at HF/6-311+G(3df,2p)
 hartrees
Energy at 0K-275.829082
Energy at 298.15K-275.831569
HF Energy-275.829082
Nuclear repulsion energy112.908881
The energy at 298.15K was derived from the energy at 0K and an integrated heat capacity that used the calculated vibrational frequencies.
Vibrational Frequencies calculated at HF/6-311+G(3df,2p) An error occurred on the server when processing the URL. Please contact the system administrator.

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