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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	-90.065208
Energy at 298.15K
HF Energy	-90.065208
Nuclear repulsion energy	17.515880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3984	3940	227.66
2	Σ	1325	1310	85.84
3	Π	174i	172i	142.92
3	Π	174i	172i	142.92

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.353
Be2	0.000	0.000	-1.035
H3	0.000	0.000	1.313

	O1	Be2	H3
O1		1.3879	0.9593
Be2	1.3879		2.3472
H3	0.9593	2.3472

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	O	-0.093
2	Be	-0.075
3	H	0.169

	x	y	z	Total
	0.000	0.000	1.667	1.667
CHELPG
AIM
ESP

<r²>	14.344
(<r²>)^1/2	3.787

Number	Element	Mulliken
1	O	-0.093
2	Be	-0.075
3	H	0.169