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	hartrees
Energy at 0K	-7.641572
Energy at 298.15K	-7.644139
HF Energy	-7.641572
Nuclear repulsion energy	11.706661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2683	2409	0.00
2	A₁	1309	1175	0.00
3	A₁	888	797	0.00
4	B₁	464	416	0.00
5	B₂	2652	2382	195.47
6	B₂	1227	1102	42.72
7	E	2715	2438	218.26
7	E	2715	2438	218.26
8	E	1066	957	28.54
8	E	1066	957	28.54
9	E	497	446	5.10
9	E	497	446	5.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.855
B2	0.000	0.000	-0.855
H3	0.000	1.022	1.489
H4	0.000	-1.022	1.489
H5	1.022	0.000	-1.489
H6	-1.022	0.000	-1.489

	B1	B2	H3	H4	H5	H6
B1		1.7095	1.2028	1.2028	2.5567	2.5567
B2	1.7095		2.5567	2.5567	1.2028	1.2028
H3	1.2028	2.5567		2.0442	3.3098	3.3098
H4	1.2028	2.5567	2.0442		3.3098	3.3098
H5	2.5567	1.2028	3.3098	3.3098		2.0442
H6	2.5567	1.2028	3.3098	3.3098	2.0442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.811	B1	B2	H6	121.811
B2	B1	H3	121.811	B2	B1	H4	121.811
H3	B1	H4	116.378	H5	B2	H6	116.378

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

using model chemistry: HF/CEP-31G*

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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Number	Element	Mulliken
1	B	-0.110
2	B	-0.110
3	H	0.055
4	H	0.055
5	H	0.055
6	H	0.055

<r²>	26.790
(<r²>)^1/2	5.176

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

using model chemistry: HF/CEP-31G*

States and conformations

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