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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	-90.601642
Energy at 298.15K	-90.601006
HF Energy	-90.601642
Nuclear repulsion energy	17.496825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4085	3944	203.46
2	Σ	1287	1242	158.91
3	Π	155	149	157.29
3	Π	155	149	157.29

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.357
Be2	0.000	0.000	-1.039
H3	0.000	0.000	1.305

	O1	Be2	H3
O1		1.3961	0.9483
Be2	1.3961		2.3443
H3	0.9483	2.3443

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

using model chemistry: B3LYP/TZVP

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	-0.520
2	Be	0.240
3	H	0.280

	x	y	z	Total
	0.000	0.000	1.363	1.363
CHELPG
AIM
ESP

<r²>	14.697
(<r²>)^1/2	3.834

Number	Element	Mulliken
1	O	-0.520
2	Be	0.240
3	H	0.280