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	hartrees
Energy at 0K	-200.021291
Energy at 298.15K	-200.020373
Nuclear repulsion energy	66.040135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2047	2036	0.00
2	Σ_g	612	608	0.00
3	Σ_u	1875	1864	94.81
4	Π_g	503	500	0.00
4	Π_g	503	500	0.00
5	Π_u	212	211	34.70
5	Π_u	212	211	34.70

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
O3	0.000	0.000	2.035
O4	0.000	0.000	-2.035

	B1	B2	O3	O4
B1		1.6389	1.2159	2.8547
B2	1.6389		2.8547	1.2159
O3	1.2159	2.8547		4.0706
O4	2.8547	1.2159	4.0706

Number	Element	Mulliken
1	B	-0.072
2	B	-0.072
3	O	0.072
4	O	0.072

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

using model chemistry: PBEPBE/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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<r²>	87.704
(<r²>)^1/2	9.365

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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