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	hartrees
Energy at 0K	-90.470324
Energy at 298.15K	-90.470132
HF Energy	-90.470324
Nuclear repulsion energy	17.213638

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'	3872	3872	100.92	146.35	0.19	0.33
2	A'	1193	1193	104.08	6.78	0.49	0.66
3	A'	349	349	156.89	4.54	0.75	0.86

Atom	x (Å)	y (Å)
O1	0.051	-0.386
Be2	0.051	1.041
H3	-0.616	-1.080

	O1	Be2	H3
O1		1.4266	0.9638
Be2	1.4266		2.2242
H3	0.9638	2.2242

Number	Element	Mulliken
1	O	0.759
2	Be	-0.892
3	H	0.134

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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	-0.449	0.000	1.122
CHELPG
AIM
ESP

	x	y	z
x	5.597	0.067	0.000
y	0.067	5.012	0.000
z	0.000	0.000	5.371

<r²>	14.654
(<r²>)^1/2	3.828