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	hartrees
Energy at 0K	-89.232079
Energy at 298.15K
HF Energy	-89.232079
Nuclear repulsion energy	18.032678

	hartrees
Energy at 0K	-89.232081
Energy at 298.15K	-89.231968
HF Energy	-89.232081
Nuclear repulsion energy	18.025846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4171	3684	70.51
2	Σ	1615	1426	34.34
3	Π	384	339	91.71
3	Π	384	339	91.71

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.331
Be2	0.000	0.000	-0.991
H3	0.000	0.000	1.317

	O1	Be2	H3
O1		1.3215	0.9858
Be2	1.3215		2.3073
H3	0.9858	2.3073

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

using model chemistry: HSEh1PBE/STO-3G

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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Number	Element	Mulliken
1	O	-0.306
2	Be	0.045
3	H	0.261

	x	y	z	Total
	0.000	0.000	2.389	2.389
CHELPG
AIM
ESP

<r²>	12.680
(<r²>)^1/2	3.561