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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	-89.744864
Energy at 298.15K	-89.744550
HF Energy	-89.606172
Nuclear repulsion energy	17.371290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3877	3702	219.83
2	Σ	1416	1352	60.04
3	Π	263	251	231.78
3	Π	263	251	231.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.356
Be2	0.000	0.000	-1.044
H3	0.000	0.000	1.323

	O1	Be2	H3
O1		1.3999	0.9664
Be2	1.3999		2.3663
H3	0.9664	2.3663

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

using model chemistry: MP2=FULL/3-21G

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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