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	hartrees
Energy at 0K	-90.450185
Energy at 298.15K
HF Energy	-90.138114
Nuclear repulsion energy	17.819725

	hartrees
Energy at 0K	-90.450235
Energy at 298.15K	-90.449996
HF Energy	-90.138085
Nuclear repulsion energy	17.749324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4172	3967	205.03
2	Σ	1355	1289	165.63
3	Π	293	278	149.97
3	Π	293	278	149.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.350
Be2	0.000	0.000	-1.023
H3	0.000	0.000	1.291

	O1	Be2	H3
O1		1.3727	0.9411
Be2	1.3727		2.3138
H3	0.9411	2.3138

All results from a given calculation for BeOH (beryllium monohydroxide)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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