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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	-90.362983
Energy at 298.15K	-90.362793
HF Energy	-90.123182
Nuclear repulsion energy	17.396730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	4020	3898
2	A'	1251	1213
3	A'	349	338

Atom	x (Å)	y (Å)
O1	0.055	-0.386
Be2	0.055	1.027
H3	-0.657	-1.021

	O1	Be2	H3
O1		1.4133	0.9536
Be2	1.4133		2.1684
H3	0.9536	2.1684

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

using model chemistry: MP4/6-311G**

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-90.362180
Energy at 298.15K
HF Energy	-90.123003
Nuclear repulsion energy	17.624395

	O1	Be2	H3
O1		1.3830	0.9463
Be2	1.3830		2.3294
H3	0.9463	2.3294