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	hartrees
Energy at 0K	-51.849453
Energy at 298.15K	-51.851927
HF Energy	-51.650205
Nuclear repulsion energy	22.307485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2619	2471	0.00
2	A₁	1236	1166	0.00
3	A₁	862	813	0.00
4	B₁	531	501	0.00
5	B₂	2599	2452	76.74
6	B₂	1176	1109	12.38
7	E	2677	2525	88.85
7	E	2677	2525	88.85
8	E	1014	956	28.10
8	E	1014	956	28.10
9	E	418	395	6.75
9	E	418	395	6.75

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.825
B2	0.000	0.000	-0.825
H3	0.000	1.015	1.453
H4	0.000	-1.015	1.453
H5	1.015	0.000	-1.453
H6	-1.015	0.000	-1.453

	B1	B2	H3	H4	H5	H6
B1		1.6499	1.1932	1.1932	2.4936	2.4936
B2	1.6499		2.4936	2.4936	1.1932	1.1932
H3	1.1932	2.4936		2.0292	3.2407	3.2407
H4	1.1932	2.4936	2.0292		3.2407	3.2407
H5	2.4936	1.1932	3.2407	3.2407		2.0292
H6	2.4936	1.1932	3.2407	3.2407	2.0292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.752	B1	B2	H6	121.752
B2	B1	H3	121.752	B2	B1	H4	121.752
H3	B1	H4	116.497	H5	B2	H6	116.497

All results from a given calculation for B₂H₄ (Diborane(4) D2d)

using model chemistry: MP2/6-311+G(3df,2p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for B₂H₄ (Diborane(4) D2d)