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	hartrees
Energy at 0K	-198.084838
Energy at 298.15K	-198.084209
Nuclear repulsion energy	66.485402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2259	2046	0.00
2	Σ_g	656	594	0.00
3	Σ_u	2035	1843	218.92
4	Π_g	603	546	0.00
4	Π_g	603	546	0.00
5	Π_u	261	237	68.89
5	Π_u	261	237	68.89

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.812
B2	0.000	0.000	-0.812
O3	0.000	0.000	2.021
O4	0.000	0.000	-2.021

	B1	B2	O3	O4
B1		1.6233	1.2092	2.8325
B2	1.6233		2.8325	1.2092
O3	1.2092	2.8325		4.0417
O4	2.8325	1.2092	4.0417

Number	Element	Mulliken	CHELPG	ESP
1	B	0.404	0.533	0.517
2	B	0.404	0.533	0.517
3	O	-0.404	-0.533	-0.517
4	O	-0.404	-0.533	-0.517

All results from a given calculation for B₂O₂ (Diboron dioxide)

using model chemistry: HF/3-21G

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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<r²>	87.798
(<r²>)^1/2	9.370

All results from a given calculation for B2O2 (Diboron dioxide)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for B₂O₂ (Diboron dioxide)