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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	-90.313239
Energy at 298.15K	-90.312947
HF Energy	-90.097993
Nuclear repulsion energy	17.436747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4100	3831	162.96
2	A'	1288	1204	95.32
3	A'	263	246	205.80

Atom	x (Å)	y (Å)
O1	0.047	-0.376
Be2	0.047	1.030
H3	-0.559	-1.111

	O1	Be2	H3
O1		1.4067	0.9518
Be2	1.4067		2.2251
H3	0.9518	2.2251

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

using model chemistry: MP2=FULL/6-31G**

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4186	3911	242.19
2	Σ	1348	1260	117.77
3	Π	121i	113i	172.65
3	Π	121i	113i	172.65

	O1	Be2	H3
O1		1.3851	0.9456
Be2	1.3851		2.3307
H3	0.9456	2.3307