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	hartrees
Energy at 0K	-90.460291
Energy at 298.15K	-90.460115
HF Energy	-90.460291
Nuclear repulsion energy	17.405904

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'	3908	3868	110.30	94.96	0.27	0.43
2	A'	1266	1253	72.76	11.18	0.22	0.36
3	A'	362	359	157.07	7.27	0.63	0.77

Atom	x (Å)	y (Å)
O1	0.051	-0.380
Be2	0.051	1.028
H3	-0.613	-1.073

	O1	Be2	H3
O1		1.4071	0.9598
Be2	1.4071		2.2028
H3	0.9598	2.2028

Number	Element	Mulliken
1	O	-0.093
2	Be	-0.211
3	H	0.304

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

using model chemistry: PBEPBEultrafine/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
	-1.049	-0.842	0.000	1.345
CHELPG
AIM
ESP

	x	y	z
x	4.280	0.130	0.000
y	0.130	3.739	0.000
z	0.000	0.000	4.016

<r²>	14.030
(<r²>)^1/2	3.746