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	hartrees
Energy at 0K	-100.672552
Energy at 298.15K	-100.672767
HF Energy	-100.672552
Nuclear repulsion energy	21.677999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2898	2786	6.06
2	Σ	1875	1803	51.74
3	Π	795	764	13.29
3	Π	795	764	13.32

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.602
H2	0.000	0.000	-1.774
O3	0.000	0.000	0.598

	B1	H2	O3
B1		1.1718	1.2003
H2	1.1718		2.3721
O3	1.2003	2.3721

Number	Element	Mulliken
1	B	-0.079
2	H	0.066
3	O	0.013

All results from a given calculation for HBO (Boron hydride oxide)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z
x	1.634	-0.000	0.000
y	-0.000	1.634	0.000
z	0.000	0.000	2.713

<r²>	14.421
(<r²>)^1/2	3.798