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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	-90.422161
Energy at 298.15K	-90.422022
HF Energy	-90.136017
Nuclear repulsion energy	17.400085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3991	3868
2	A'	1261	1223
3	A'	397	384

Atom	x (Å)	y (Å)
O1	0.053	-0.384
Be2	0.053	1.029
H3	-0.633	-1.046

	O1	Be2	H3
O1		1.4122	0.9534
Be2	1.4122		2.1848
H3	0.9534	2.1848

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

using model chemistry: MP4/cc-pVTZ

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	-90.420881
Energy at 298.15K
HF Energy	-90.135184
Nuclear repulsion energy	17.618815

	O1	Be2	H3
O1		1.3839	0.9458
Be2	1.3839		2.3297
H3	0.9458	2.3297