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	hartrees
Energy at 0K	-51.889916
Energy at 298.15K	-51.892410
HF Energy	-51.646290
Nuclear repulsion energy	22.191167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2602	0.00
2	A₁	1236	1236	0.00
3	A₁	858	858	0.00
4	B₁	516	516	0.00
5	B₂	2582	2582	81.44
6	B₂	1175	1175	17.55
7	E	2658	2658	92.92
7	E	2658	2658	92.92
8	E	1015	1015	25.43
8	E	1015	1015	25.43
9	E	436	436	6.27
9	E	436	436	6.27

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.830
B2	0.000	0.000	-0.830
H3	0.000	1.018	1.462
H4	0.000	-1.018	1.462
H5	1.018	0.000	-1.462
H6	-1.018	0.000	-1.462

	B1	B2	H3	H4	H5	H6
B1		1.6605	1.1979	1.1979	2.5079	2.5079
B2	1.6605		2.5079	2.5079	1.1979	1.1979
H3	1.1979	2.5079		2.0359	3.2588	3.2588
H4	1.1979	2.5079	2.0359		3.2588	3.2588
H5	2.5079	1.1979	3.2588	3.2588		2.0359
H6	2.5079	1.1979	3.2588	3.2588	2.0359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.816	B1	B2	H6	121.816
B2	B1	H3	121.816	B2	B1	H4	121.816
H3	B1	H4	116.368	H5	B2	H6	116.368

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

using model chemistry: MP3=FULL/6-311G**

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

using model chemistry: MP3=FULL/6-311G**

States and conformations

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