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	hartrees
Energy at 0K	-100.698158
Energy at 298.15K	-100.698329
HF Energy	-100.698158
Nuclear repulsion energy	21.397080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2842	2827	8.74
2	Σ	1790	1781	53.12
3	Π	739	735	8.25
3	Π	739	735	8.27

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.612
H2	0.000	0.000	-1.788
O3	0.000	0.000	0.606

	B1	H2	O3
B1		1.1761	1.2180
H2	1.1761		2.3941
O3	1.2180	2.3941

Number	Element	Mulliken
1	B	0.414
2	H	0.064
3	O	-0.478

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

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

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	1.700	-0.000	0.001
y	-0.000	1.699	-0.001
z	0.001	-0.001	3.344

<r²>	14.962
(<r²>)^1/2	3.868