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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	-90.327608
Energy at 298.15K	-90.327420
HF Energy	-90.102394
Nuclear repulsion energy	17.196951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3982	3850
2	A'	1228	1187
3	A'	352	341

Atom	x (Å)	y (Å)
O1	0.055	-0.392
Be2	0.055	1.041
H3	-0.665	-1.026

	O1	Be2	H3
O1		1.4329	0.9595
Be2	1.4329		2.1888
H3	0.9595	2.1888

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

using model chemistry: MP4/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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-90.326580
Energy at 298.15K
HF Energy	-90.101830
Nuclear repulsion energy	17.424234

	O1	Be2	H3
O1		1.4026	0.9506
Be2	1.4026		2.3532
H3	0.9506	2.3532