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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	-90.036894
Energy at 298.15K	-90.036662
Nuclear repulsion energy	17.453838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3945	3865	162.50
2	Σ	1312	1285	85.51
3	Π	299	293	224.67
3	Π	299	293	224.67

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.355
Be2	0.000	0.000	-1.039
H3	0.000	0.000	1.315

	O1	Be2	H3
O1		1.3942	0.9602
Be2	1.3942		2.3544
H3	0.9602	2.3544

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

using model chemistry: LSDA/6-31G

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3945	3865	162.48
2	Σ	1311	1285	85.53
3	Π	299	293	224.68
3	Π	299	293	224.68

Number	Element	Mulliken
1	O	-0.669
2	Be	0.261
3	H	0.408

	x	y	z	Total
	0.000	0.000	1.720	1.720
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

	O1	Be2	H3
O1		1.3943	0.9602
Be2	1.3943		2.3545
H3	0.9602	2.3545