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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	-90.073360
Energy at 298.15K	-90.072917
HF Energy	-90.073360
Nuclear repulsion energy	17.562360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4009	3949	197.73
2	Σ	1319	1299	148.22
3	Π	218	215	167.81
3	Π	218	215	167.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.352
Be2	0.000	0.000	-1.031
H3	0.000	0.000	1.310

	O1	Be2	H3
O1		1.3835	0.9581
Be2	1.3835		2.3416
H3	0.9581	2.3416

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

using model chemistry: LSDA/6-31+G**

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	4010	3949	197.73
2	Σ	1319	1299	148.23
3	Π	218	215	167.82
3	Π	218	215	167.73

Number	Element	Mulliken
1	O	-0.424
2	Be	0.019
3	H	0.405

	x	y	z	Total
	0.000	0.000	1.356	1.356
CHELPG
AIM
ESP

	x	y	z
x	4.920	-0.000	0.000
y	-0.000	4.914	0.000
z	0.000	0.000	4.943

<r²>	14.403
(<r²>)^1/2	3.795