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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	-90.315422
Energy at 298.15K
HF Energy	-90.101882
Nuclear repulsion energy	17.440612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4127	3931	270.19
2	Σ	1314	1251	107.10
3	Π	213i	203i	163.34
3	Π	213i	203i	163.34

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.358
Be2	0.000	0.000	-1.043
H3	0.000	0.000	1.308

	O1	Be2	H3
O1		1.4012	0.9502
Be2	1.4012		2.3514
H3	0.9502	2.3514

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

using model chemistry: MP2/cc-pVDZ

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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