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	hartrees
Energy at 0K	-90.510553
Energy at 298.15K
HF Energy	-90.510553
Nuclear repulsion energy	17.479398

	hartrees
Energy at 0K	-90.510546
Energy at 298.15K	-90.510430
HF Energy	-90.510546
Nuclear repulsion energy	17.471546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4082	4082	169.82
2	Σ	1326	1326	114.18
3	Π	349	349	249.72
3	Π	349	349	249.72

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.357
Be2	0.000	0.000	-1.040
H3	0.000	0.000	1.308

	O1	Be2	H3
O1		1.3972	0.9512
Be2	1.3972		2.3484
H3	0.9512	2.3484

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

using model chemistry: M06-2X/6-31G

States and conformations

Conformer 1 (CS)

Conformer 2 (C*V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.747
2	Be	0.331
3	H	0.416

	x	y	z	Total
	0.000	0.000	1.401	1.401
CHELPG
AIM
ESP

<r²>	13.952
(<r²>)^1/2	3.735