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

	hartrees
Energy at 0K	-90.209481
Energy at 298.15K
HF Energy	-90.071368
Nuclear repulsion energy	17.473985

	hartrees
Energy at 0K	-90.209701
Energy at 298.15K	-90.209232
HF Energy	-90.071154
Nuclear repulsion energy	17.311188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4012	3839	199.09
2	Σ	1291	1235	107.04
3	Π	210	201	264.10
3	Π	210	201	264.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.361
Be2	0.000	0.000	-1.052
H3	0.000	0.000	1.316

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

using model chemistry: MP2/6-31G

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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	O1	Be2	H3
O1		1.4131	0.9548
Be2	1.4131		2.3679
H3	0.9548	2.3679