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	hartrees
Energy at 0K	-90.582794
Energy at 298.15K	-90.582606
HF Energy	-90.582794
Nuclear repulsion energy	17.535259

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'	4014	3873	127.41	85.00	0.27	0.43
2	A'	1299	1254	88.64	7.88	0.22	0.36
3	A'	348	336	168.60	6.80	0.64	0.78

Atom	x (Å)	y (Å)
O1	0.048	-0.374
Be2	0.048	1.022
H3	-0.573	-1.095

	O1	Be2	H3
O1		1.3964	0.9515
Be2	1.3964		2.2065
H3	0.9515	2.2065

Number	Element	Mulliken
1	O	-0.117
2	Be	-0.191
3	H	0.308

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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
	-1.028	-0.810	0.000	1.309
CHELPG
AIM
ESP

	x	y	z
x	4.138	0.130	0.000
y	0.130	3.524	0.000
z	0.000	0.000	3.910

<r²>	13.891
(<r²>)^1/2	3.727