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	hartrees
Energy at 0K	-90.542154
Energy at 298.15K
HF Energy	-90.542154
Nuclear repulsion energy	17.537615

	hartrees
Energy at 0K	-90.542377
Energy at 298.15K	-90.541681
HF Energy	-90.542377
Nuclear repulsion energy	17.386368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4024	3966	158.27
2	Σ	1248	1230	150.85
3	Π	137	135	150.96
3	Π	137	135	150.96

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.360
Be2	0.000	0.000	-1.047
H3	0.000	0.000	1.310

	O1	Be2	H3
O1		1.4070	0.9507
Be2	1.4070		2.3577
H3	0.9507	2.3577

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

using model chemistry: B97D3/TZVP

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	-0.482
2	Be	0.205
3	H	0.277

	x	y	z	Total
	0.000	0.000	1.367	1.367
CHELPG
AIM
ESP

	x	y	z
x	4.452	0.000	-0.001
y	0.000	4.452	0.001
z	-0.001	0.001	4.797

<r²>	14.727
(<r²>)^1/2	3.838