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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	-89.750407
Energy at 298.15K	-89.750057
HF Energy	-89.605984
Nuclear repulsion energy	17.320819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3830	3715
2	Σ	1398	1355
3	Π	250	243
3	Π	250	243

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.357
Be2	0.000	0.000	-1.047
H3	0.000	0.000	1.327

	O1	Be2	H3
O1		1.4040	0.9692
Be2	1.4040		2.3732
H3	0.9692	2.3732

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

using model chemistry: MP4/3-21G

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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	O1	Be2	H3
O1		1.4037	0.9691
Be2	1.4037		2.3728
H3	0.9691	2.3728