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	hartrees
Energy at 0K	-51.659528
Energy at 298.15K	-51.661999
HF Energy	-51.659528
Nuclear repulsion energy	22.334254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2600	2505	0.00
2	A₁	1203	1159	0.00
3	A₁	899	866	0.00
4	B₁	580	559	0.00
5	B₂	2578	2483	48.56
6	B₂	1148	1106	0.34
7	E	2653	2556	53.99
7	E	2653	2556	53.99
8	E	979	943	28.60
8	E	979	943	28.60
9	E	408	393	0.16
9	E	408	393	0.16

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.814
B2	0.000	0.000	-0.814
H3	0.000	1.019	1.457
H4	0.000	-1.019	1.457
H5	1.019	0.000	-1.457
H6	-1.019	0.000	-1.457

	B1	B2	H3	H4	H5	H6
B1		1.6285	1.2044	1.2044	2.4889	2.4889
B2	1.6285		2.4889	2.4889	1.2044	1.2044
H3	1.2044	2.4889		2.0377	3.2499	3.2499
H4	1.2044	2.4889	2.0377		3.2499	3.2499
H5	2.4889	1.2044	3.2499	3.2499		2.0377
H6	2.4889	1.2044	3.2499	3.2499	2.0377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.226	B1	B2	H6	122.226
B2	B1	H3	122.226	B2	B1	H4	122.226
H3	B1	H4	115.548	H5	B2	H6	115.548

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

using model chemistry: HSEh1PBE/3-21G

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	-0.094
2	B	-0.094
3	H	0.047
4	H	0.047
5	H	0.047
6	H	0.047

<r²>	28.814
(<r²>)^1/2	5.368

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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