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All results from a given calculation for Be(OH)2 (Beryllium hydroxide)

using model chemistry: SVWN/6-311G*

19 10 17 12 22

States and conformations

State Conformation minimum conformation conformer description state description
1 1 no C2V 1A1
1 2 yes C2 1A

Conformer 1 (C2V)

Jump to S1C2
Energy calculated at SVWN/6-311G*
 hartrees
Energy at 0K-165.695165
Energy at 298.15K 
HF Energy-165.695165
Nuclear repulsion energy49.200305
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 SVWN/6-311G* An error occurred on the server when processing the URL. Please contact the system administrator.

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