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	hartrees
Energy at 0K	-51.846813
Energy at 298.15K	-51.849281
HF Energy	-51.636982
Nuclear repulsion energy	21.953757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1226	1183
2	A₁	856	826
3	B₁	504	486
4	B₂	1160	1120
5	E	2654	2561
6	E	2654	2561
7	E	2595	2505
7	E	2576	2486
8	E	1006	971
8	E	1006	971
9	E	431	416
9	E	430	415

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.031	1.477
H4	0.000	-1.031	1.477
H5	1.031	0.000	-1.477
H6	-1.031	0.000	-1.477

	B1	B2	H3	H4	H5	H6
B1		1.6749	1.2133	1.2133	2.5339	2.5339
B2	1.6749		2.5339	2.5339	1.2133	1.2133
H3	1.2133	2.5339		2.0615	3.2948	3.2948
H4	1.2133	2.5339	2.0615		3.2948	3.2948
H5	2.5339	1.2133	3.2948	3.2948		2.0615
H6	2.5339	1.2133	3.2948	3.2948	2.0615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.834	B1	B2	H6	121.834
B2	B1	H3	121.834	B2	B1	H4	121.834
H3	B1	H4	116.332	H5	B2	H6	116.332

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

using model chemistry: MP4=FULL/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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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: MP4=FULL/cc-pVDZ

States and conformations

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