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	hartrees
Energy at 0K	-51.866623
Energy at 298.15K	-51.869101
HF Energy	-51.641200
Nuclear repulsion energy	22.218860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2629	2486	0.00
2	A₁	1239	1172	0.00
3	A₁	859	813	0.00
4	B₁	509	482	0.00
5	B₂	2610	2468	66.15
6	B₂	1181	1117	13.25
7	E	2686	2540	71.46
7	E	2686	2540	71.46
8	E	1017	962	26.82
8	E	1017	962	26.82
9	E	432	408	4.83
9	E	432	408	4.83

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.829
B2	0.000	0.000	-0.829
H3	0.000	1.016	1.461
H4	0.000	-1.016	1.461
H5	1.016	0.000	-1.461
H6	-1.016	0.000	-1.461

	B1	B2	H3	H4	H5	H6
B1		1.6584	1.1963	1.1963	2.5056	2.5056
B2	1.6584		2.5056	2.5056	1.1963	1.1963
H3	1.1963	2.5056		2.0313	3.2566	3.2566
H4	1.1963	2.5056	2.0313		3.2566	3.2566
H5	2.5056	1.1963	3.2566	3.2566		2.0313
H6	2.5056	1.1963	3.2566	3.2566	2.0313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.897	B1	B2	H6	121.897
B2	B1	H3	121.897	B2	B1	H4	121.897
H3	B1	H4	116.205	H5	B2	H6	116.205

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

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

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