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	hartrees
Energy at 0K	-51.650721
Energy at 298.15K	-51.653312
HF Energy	-51.650721
Nuclear repulsion energy	22.153571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2659	2416	0.00
2	A₁	1308	1189	0.00
3	A₁	862	783	0.00
4	B₁	490	446	0.00
5	B₂	2634	2393	126.29
6	B₂	1250	1136	29.51
7	E	2702	2455	142.45
7	E	2702	2455	142.45
8	E	1066	968	34.82
8	E	1066	968	34.82
9	E	488	443	11.31
9	E	488	443	11.31

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.836
B2	0.000	0.000	-0.836
H3	0.000	1.016	1.463
H4	0.000	-1.016	1.463
H5	1.016	0.000	-1.463
H6	-1.016	0.000	-1.463

	B1	B2	H3	H4	H5	H6
B1		1.6719	1.1944	1.1944	2.5139	2.5139
B2	1.6719		2.5139	2.5139	1.1944	1.1944
H3	1.1944	2.5139		2.0326	3.2607	3.2607
H4	1.1944	2.5139	2.0326		3.2607	3.2607
H5	2.5139	1.1944	3.2607	3.2607		2.0326
H6	2.5139	1.1944	3.2607	3.2607	2.0326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.691	B1	B2	H6	121.691
B2	B1	H3	121.691	B2	B1	H4	121.691
H3	B1	H4	116.619	H5	B2	H6	116.619

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

using model chemistry: HF/TZVP

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	0.109
2	B	0.109
3	H	-0.054
4	H	-0.054
5	H	-0.054
6	H	-0.054

<r²>	29.437
(<r²>)^1/2	5.426

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

using model chemistry: HF/TZVP

States and conformations

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