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	hartrees
Energy at 0K	-90.496118
Energy at 298.15K	-90.495929
HF Energy	-90.496118
Nuclear repulsion energy	17.383345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3885	3885	107.14	151.22	0.19	0.32
2	A'	1242	1242	108.48	5.45	0.68	0.81
3	A'	352	352	157.56	4.37	0.75	0.86

Atom	x (Å)	y (Å)
O1	0.049	-0.378
Be2	0.049	1.031
H3	-0.586	-1.098

	O1	Be2	H3
O1		1.4086	0.9602
Be2	1.4086		2.2216
H3	0.9602	2.2216

Number	Element	Mulliken
1	O	-0.260
2	Be	0.129
3	H	0.131

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	-0.991	-0.595	0.000	1.156
CHELPG
AIM
ESP

	x	y	z
x	5.690	0.072	0.000
y	0.072	5.019	0.000
z	0.000	0.000	5.467

<r²>	14.506
(<r²>)^1/2	3.809