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	hartrees
Energy at 0K	-200.197054
Energy at 298.15K	-200.196130
Nuclear repulsion energy	66.567754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2133	2044	0.00
2	Σ_g	617	591	0.00
3	Σ_u	1950	1869	178.53
4	Π_g	496	475	0.00
4	Π_g	496	475	0.00
5	Π_u	211	202	60.43
5	Π_u	211	202	60.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.821
B2	0.000	0.000	-0.821
O3	0.000	0.000	2.022
O4	0.000	0.000	-2.022

	B1	B2	O3	O4
B1		1.6418	1.2012	2.8429
B2	1.6418		2.8429	1.2012
O3	1.2012	2.8429		4.0441
O4	2.8429	1.2012	4.0441

Number	Element	Mulliken
1	B	0.238
2	B	0.238
3	O	-0.238
4	O	-0.238

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

using model chemistry: mPW1PW91/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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<r²>	87.446
(<r²>)^1/2	9.351

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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