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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	-90.325376
Energy at 298.15K	-90.324852
HF Energy	-90.105032
Nuclear repulsion energy	17.514390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4152	3899	238.14
2	Σ	1300	1221	169.80
3	Π	191	180	192.89
3	Π	191	180	192.89

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.356
Be2	0.000	0.000	-1.038
H3	0.000	0.000	1.304

	O1	Be2	H3
O1		1.3941	0.9484
Be2	1.3941		2.3425
H3	0.9484	2.3425

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

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

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	4151	3899	238.15
2	Σ	1300	1221	169.77
3	Π	193	182	192.87
3	Π	193	182	192.87

	O1	Be2	H3
O1		1.3940	0.9484
Be2	1.3940		2.3424
H3	0.9484	2.3424