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	hartrees
Energy at 0K	-200.317345
Energy at 298.15K	-200.316452
HF Energy	-200.317345
Nuclear repulsion energy	66.706502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2127	2054	0.00
2	Σ_g	615	594	0.00
3	Σ_u	1957	1889	175.62
4	Π_g	504	487	0.00
4	Π_g	504	487	0.00
5	Π_u	219	212	60.55
5	Π_u	219	212	60.55

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.817
B2	0.000	0.000	-0.817
O3	0.000	0.000	2.017
O4	0.000	0.000	-2.017

	B1	B2	O3	O4
B1		1.6335	1.2002	2.8337
B2	1.6335		2.8337	1.2002
O3	1.2002	2.8337		4.0339
O4	2.8337	1.2002	4.0339

Number	Element	Mulliken
1	B	0.404
2	B	0.404
3	O	-0.404
4	O	-0.404

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

using model chemistry: B3LYP/TZVP

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>	87.144
(<r²>)^1/2	9.335

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

using model chemistry: B3LYP/TZVP

States and conformations

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