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	hartrees
Energy at 0K	-90.546610
Energy at 298.15K	-90.546418
HF Energy	-90.456435
Nuclear repulsion energy	17.475970

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'	4001	4001	135.12	114.87	0.16	0.28
2	A'	1266	1266	121.49	4.66	0.52	0.68
3	A'	348	348	169.87	4.06	0.74	0.85

Atom	x (Å)	y (Å)
O1	0.047	-0.375
Be2	0.047	1.027
H3	-0.563	-1.106

	O1	Be2	H3
O1		1.4027	0.9514
Be2	1.4027		2.2186
H3	0.9514	2.2186

Number	Element	Mulliken
1	O	-0.322
2	Be	0.229
3	H	0.093

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

using model chemistry: B2PLYP/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
	-1.004	-0.568	0.000	1.153
CHELPG
AIM
ESP

	x	y	z
x	5.406	0.050	-0.000
y	0.050	4.560	0.001
z	-0.000	0.001	5.206

<r²>	14.395
(<r²>)^1/2	3.794