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	hartrees
Energy at 0K	-17.628618
Energy at 298.15K	-17.628535
Nuclear repulsion energy	8.254646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3975	3805	97.38
2	A'	1216	1164	99.64
3	A'	469	449	185.49

Atom	x (Å)	y (Å)
O1	0.059	-0.392
Be2	0.059	1.029
H3	-0.705	-0.979

	O1	Be2	H3
O1		1.4216	0.9635
Be2	1.4216		2.1489
H3	0.9635	2.1489

Number	Element	Mulliken
1	O	-0.362
2	Be	-0.016
3	H	0.377

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

using model chemistry: B1B95/CEP-31G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.344	-0.378	0.000	1.396
CHELPG
AIM
ESP

	x	y	z
x	4.746	0.211	0.000
y	0.211	3.836	0.000
z	0.000	0.000	4.366

<r²>	0.000
(<r²>)^1/2	0.000