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	hartrees
Energy at 0K	-100.705288
Energy at 298.15K	-100.705472
HF Energy	-100.705288
Nuclear repulsion energy	21.420423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2833	2828	5.66
2	Σ	1770	1767	52.12
3	Π	751	750	8.01
3	Π	751	750	8.01

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.611
H2	0.000	0.000	-1.788
O3	0.000	0.000	0.605

	B1	H2	O3
B1		1.1769	1.2163
H2	1.1769		2.3932
O3	1.2163	2.3932

Number	Element	Mulliken
1	B	-0.206
2	H	0.382
3	O	-0.176

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

using model chemistry: BLYP/aug-cc-pVDZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	2.233	0.000	0.000
y	0.000	2.233	-0.000
z	0.000	-0.000	3.393

<r²>	14.964
(<r²>)^1/2	3.868