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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^'
1	2	no	C*V	²Σ

	hartrees
Energy at 0K	-17.297228
Energy at 298.15K	-17.297169
HF Energy	-17.297228
Nuclear repulsion energy	8.356546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4403	3969	211.62
2	Σ	1284	1157	156.49
3	Π	378	341	281.56
3	Π	378	341	281.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.208
Be2	0.000	0.000	-1.196
H3	0.000	0.000	1.146

	O1	Be2	H3
O1		1.4042	0.9387
Be2	1.4042		2.3428
H3	0.9387	2.3428

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

using model chemistry: HF/CEP-31G

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	-0.721
2	Be	0.317
3	H	0.404

	x	y	z	Total
	0.000	0.000	1.061	1.061
CHELPG
AIM
ESP

<r²>	11.702
(<r²>)^1/2	3.421

Number	Element	Mulliken
1	O	-0.721
2	Be	0.317
3	H	0.404