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	hartrees
Energy at 0K	-51.885755
Energy at 298.15K	-51.888245
HF Energy	-51.651775
Nuclear repulsion energy	22.267572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2610	2466	0.00
2	A₁	1239	1170	0.00
3	A₁	860	813	0.00
4	B₁	519	490	0.00
5	B₂	2590	2447	80.12
6	B₂	1178	1113	14.48
7	E	2667	2519	90.06
7	E	2667	2519	90.06
8	E	1014	958	27.36
8	E	1014	958	27.36
9	E	430	406	6.81
9	E	430	406	6.81

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.827
B2	0.000	0.000	-0.827
H3	0.000	1.015	1.456
H4	0.000	-1.015	1.456
H5	1.015	0.000	-1.456
H6	-1.015	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6537	1.1947	1.1947	2.4987	2.4987
B2	1.6537		2.4987	2.4987	1.1947	1.1947
H3	1.1947	2.4987		2.0308	3.2473	3.2473
H4	1.1947	2.4987	2.0308		3.2473	3.2473
H5	2.4987	1.1947	3.2473	3.2473		2.0308
H6	2.4987	1.1947	3.2473	3.2473	2.0308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.795	B1	B2	H6	121.795
B2	B1	H3	121.795	B2	B1	H4	121.795
H3	B1	H4	116.410	H5	B2	H6	116.410

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

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

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