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	hartrees
Energy at 0K	-90.557163
Energy at 298.15K
HF Energy	-90.557163
Nuclear repulsion energy	17.731342

	hartrees
Energy at 0K	-90.557537
Energy at 298.15K	-90.556893
HF Energy	-90.557537
Nuclear repulsion energy	17.534319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4138	3960	217.47
2	Σ	1294	1238	169.57
3	Π	152	145	162.65
3	Π	152	145	162.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.356
Be2	0.000	0.000	-1.038
H3	0.000	0.000	1.301

	O1	Be2	H3
O1		1.3941	0.9445
Be2	1.3941		2.3385
H3	0.9445	2.3385

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

using model chemistry: B1B95/TZVP

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	-0.529
2	Be	0.243
3	H	0.287

	x	y	z	Total
	0.000	0.000	1.343	1.343
CHELPG
AIM
ESP

<r²>	14.618
(<r²>)^1/2	3.823