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	hartrees
Energy at 0K	-100.162697
Energy at 298.15K	-100.162867
HF Energy	-100.162697
Nuclear repulsion energy	21.543342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2830	2808	2.13
2	Σ	1809	1795	54.82
3	Π	732	726	6.92
3	Π	732	726	6.92

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.605
H2	0.000	0.000	-1.790
O3	0.000	0.000	0.602

	B1	H2	O3
B1		1.1850	1.2068
H2	1.1850		2.3918
O3	1.2068	2.3918

Number	Element	Mulliken
1	B	-0.176
2	H	0.244
3	O	-0.068

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

using model chemistry: SVWN/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	2.195	0.000	-0.001
y	0.000	2.195	0.000
z	-0.001	0.000	3.330

<r²>	14.828
(<r²>)^1/2	3.851