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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	²A^'
1	2	no	C*V	²Σ

	hartrees
Energy at 0K	-17.444704
Energy at 298.15K	-17.444547
HF Energy	-17.309046
Nuclear repulsion energy	8.313686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4014	3917	187.36
2	Σ	1257	1227	120.76
3	Π	329	321	293.48
3	Π	329	321	293.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.204
Be2	0.000	0.000	-1.192
H3	0.000	0.000	1.162

	O1	Be2	H3
O1		1.3954	0.9583
Be2	1.3954		2.3537
H3	0.9583	2.3537

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

using model chemistry: MP2/CEP-121G

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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