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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	-89.742182
Energy at 298.15K	-89.741862
HF Energy	-89.606161
Nuclear repulsion energy	17.367065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3875	3699	219.76
2	Σ	1416	1352	60.11
3	Π	261	249	231.93
3	Π	261	249	231.93

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.357
Be2	0.000	0.000	-1.044
H3	0.000	0.000	1.323

	O1	Be2	H3
O1		1.4003	0.9665
Be2	1.4003		2.3668
H3	0.9665	2.3668

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

using model chemistry: MP2/3-21G

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	3876	3700	219.80
2	Σ	1417	1352	60.09
3	Π	259	247	231.93
3	Π	259	247	231.93

	O1	Be2	H3
O1		1.4002	0.9664
Be2	1.4002		2.3666
H3	0.9664	2.3666