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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	-88.941846
Energy at 298.15K	-88.941767
HF Energy	-88.874236
Nuclear repulsion energy	18.168833

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'	4229	3687	111.58	69.78	0.38	0.55
2	A'	1710	1491	19.14	25.85	0.15	0.26
3	A'	498	434	86.20	0.74	0.75	0.86

Atom	x (Å)	y (Å)
O1	0.000	-0.327
Be2	0.000	0.981
H3	-0.001	-1.312

	O1	Be2	H3
O1		1.3078	0.9851
Be2	1.3078		2.2929
H3	0.9851	2.2929

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

using model chemistry: MP2/STO-3G

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4230	3688	111.60
2	Σ	1710	1491	19.14
3	Π	497	433	86.21
3	Π	497	433	86.21

	O1	Be2	H3
O1		1.3078	0.9850
Be2	1.3078		2.2928
H3	0.9850	2.2928