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	hartrees
Energy at 0K	-100.689496
Energy at 298.15K	-100.689671
HF Energy	-100.689496
Nuclear repulsion energy	21.421919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2855	2833	6.57
2	Σ	1807	1793	37.78
3	Π	745	740	8.26
3	Π	745	740	8.13

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.611
H2	0.000	0.000	-1.787
O3	0.000	0.000	0.605

	B1	H2	O3
B1		1.1759	1.2163
H2	1.1759		2.3923
O3	1.2163	2.3923

Number	Element	Mulliken
1	B	0.233
2	H	0.023
3	O	-0.256

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

using model chemistry: BLYP/6-31G**

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	1.385	0.001	-0.002
y	0.001	1.399	0.001
z	-0.002	0.001	2.760

<r²>	14.654
(<r²>)^1/2	3.828