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	hartrees
Energy at 0K	-51.933167
Energy at 298.15K	-51.935452
HF Energy	-51.933167
Nuclear repulsion energy	22.324138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2496	2470	0.00
2	A₁	1143	1131	0.00
3	A₁	868	859	0.00
4	B₁	585	579	0.00
5	B₂	2475	2449	46.24
6	B₂	1069	1058	0.06
7	E	2540	2514	65.27
7	E	2540	2514	65.27
8	E	941	932	21.35
8	E	941	932	21.35
9	E	337	333	0.90
9	E	337	333	0.90

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.810
B2	0.000	0.000	-0.810
H3	0.000	1.020	1.462
H4	0.000	-1.020	1.462
H5	1.020	0.000	-1.462
H6	-1.020	0.000	-1.462

	B1	B2	H3	H4	H5	H6
B1		1.6208	1.2103	1.2103	2.4907	2.4907
B2	1.6208		2.4907	2.4907	1.2103	1.2103
H3	1.2103	2.4907		2.0400	3.2602	3.2602
H4	1.2103	2.4907	2.0400		3.2602	3.2602
H5	2.4907	1.2103	3.2602	3.2602		2.0400
H6	2.4907	1.2103	3.2602	3.2602	2.0400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.566	B1	B2	H6	122.566
B2	B1	H3	122.566	B2	B1	H4	122.566
H3	B1	H4	114.868	H5	B2	H6	114.868

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

using model chemistry: PBEPBE/6-311G*

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	-0.178
2	B	-0.178
3	H	0.089
4	H	0.089
5	H	0.089
6	H	0.089

<r²>	28.866
(<r²>)^1/2	5.373

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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