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	hartrees
Energy at 0K	-51.841740
Energy at 298.15K	-51.844288
HF Energy	-51.639715
Nuclear repulsion energy	22.250093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2653	2500	0.00
2	A₁	1269	1195	0.00
3	A₁	878	827	0.00
4	B₁	512	483	0.00
5	B₂	2631	2480	100.12
6	B₂	1208	1138	21.14
7	E	2708	2552	111.19
7	E	2708	2552	111.19
8	E	1034	974	27.77
8	E	1034	974	27.77
9	E	464	437	7.76
9	E	464	437	7.76

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.829
B2	0.000	0.000	-0.829
H3	0.000	1.013	1.460
H4	0.000	-1.013	1.460
H5	1.013	0.000	-1.460
H6	-1.013	0.000	-1.460

	B1	B2	H3	H4	H5	H6
B1		1.6579	1.1933	1.1933	2.5032	2.5032
B2	1.6579		2.5032	2.5032	1.1933	1.1933
H3	1.1933	2.5032		2.0251	3.2529	3.2529
H4	1.1933	2.5032	2.0251		3.2529	3.2529
H5	2.5032	1.1933	3.2529	3.2529		2.0251
H6	2.5032	1.1933	3.2529	3.2529	2.0251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.947	B1	B2	H6	121.947
B2	B1	H3	121.947	B2	B1	H4	121.947
H3	B1	H4	116.106	H5	B2	H6	116.106

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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