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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	-90.102343
Energy at 298.15K
HF Energy	-90.102343
Nuclear repulsion energy	17.631193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4386	3982	287.32
2	Σ	1342	1218	155.03
3	Π	232i	211i	184.92
3	Π	232i	211i	184.92

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.356
Be2	0.000	0.000	-1.034
H3	0.000	0.000	1.289

	O1	Be2	H3
O1		1.3902	0.9326
Be2	1.3902		2.3228
H3	0.9326	2.3228

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

using model chemistry: HF/cc-pVDZ

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	-0.311
2	Be	0.149
3	H	0.163

	x	y	z	Total
	0.000	0.000	1.254	1.254
CHELPG
AIM
ESP

<r²>	14.193
(<r²>)^1/2	3.767

Number	Element	Mulliken
1	O	-0.311
2	Be	0.149
3	H	0.163