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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	-88.809167
Energy at 298.15K	-88.809102
Nuclear repulsion energy	17.960495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4044	3621	72.96
2	Σ	1596	1429	23.41
3	Π	410	367	93.08
3	Π	410	367	93.08

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.331
Be2	0.000	0.000	-0.993
H3	0.000	0.000	1.326

	O1	Be2	H3
O1		1.3237	0.9950
Be2	1.3237		2.3187
H3	0.9950	2.3187

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

using model chemistry: LSDA/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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4044	3621	72.95
2	Σ	1595	1429	23.42
3	Π	409	366	93.09
3	Π	409	366	93.09

Number	Element	Mulliken
1	O	-0.258
2	Be	-0.016
3	H	0.274

	x	y	z	Total
	0.000	0.000	2.675	2.675
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

	O1	Be2	H3
O1		1.3238	0.9950
Be2	1.3238		2.3188
H3	0.9950	2.3188