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	hartrees
Energy at 0K	-89.191220
Energy at 298.15K
HF Energy	-89.191220
Nuclear repulsion energy	18.575025

	hartrees
Energy at 0K	-89.207747
Energy at 298.15K	-89.207540
HF Energy	-89.207747
Nuclear repulsion energy	17.837340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3975	3632	46.97
2	Σ	1559	1424	25.90
3	Π	340	310	84.38
3	Π	340	310	84.38

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.334
Be2	0.000	0.000	-1.000
H3	0.000	0.000	1.333

	O1	Be2	H3
O1		1.3340	0.9992
Be2	1.3340		2.3333
H3	0.9992	2.3333

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

using model chemistry: PBEPBE/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	-0.265
2	Be	0.006
3	H	0.258

	x	y	z	Total
	0.000	0.000	2.536	2.536
CHELPG
AIM
ESP

<r²>	12.864
(<r²>)^1/2	3.587