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	hartrees
Energy at 0K	-90.580948
Energy at 298.15K	-90.580787
HF Energy	-90.580948
Nuclear repulsion energy	17.508004

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'	4064	4064	136.05	86.73	0.21	0.35
2	A'	1267	1267	119.73	4.53	0.62	0.77
3	A'	376	376	168.56	8.37	0.58	0.74

Atom	x (Å)	y (Å)
O1	0.048	-0.377
Be2	0.048	1.025
H3	-0.577	-1.089

	O1	Be2	H3
O1		1.4017	0.9477
Be2	1.4017		2.2044
H3	0.9477	2.2044

Number	Element	Mulliken
1	O	-0.244
2	Be	0.085
3	H	0.159

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

using model chemistry: mPW1PW91/Def2TZVPP

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
	-1.025	-0.652	0.000	1.215
CHELPG
AIM
ESP

	x	y	z
x	4.925	0.126	0.000
y	0.126	4.071	0.000
z	0.000	0.000	4.657

<r²>	14.238
(<r²>)^1/2	3.773