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	hartrees
Energy at 0K	-89.200581
Energy at 298.15K
HF Energy	-89.174996
Nuclear repulsion energy	18.060627

	hartrees
Energy at 0K	-89.200584
Energy at 298.15K	-89.200554
HF Energy	-89.174995
Nuclear repulsion energy	18.057421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4168	4168	76.63
2	Σ	1639	1639	26.39
3	Π	428	428	89.82
3	Π	428	428	89.82

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.330
Be2	0.000	0.000	-0.988
H3	0.000	0.000	1.316

	O1	Be2	H3
O1		1.3179	0.9869
Be2	1.3179		2.3047
H3	0.9869	2.3047

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

using model chemistry: B2PLYP/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	-0.294
2	Be	0.036
3	H	0.258

	x	y	z	Total
	0.000	0.000	2.502	2.502
CHELPG
AIM
ESP

<r²>	12.699
(<r²>)^1/2	3.564