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	hartrees
Energy at 0K	-51.886615
Energy at 298.15K	-51.889098
HF Energy	-51.652794
Nuclear repulsion energy	22.269435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2614	2614	0.00
2	A₁	1238	1238	0.00
3	A₁	861	861	0.00
4	B₁	521	521	0.00
5	B₂	2595	2595	80.75
6	B₂	1177	1177	14.23
7	E	2670	2670	90.73
7	E	2670	2670	90.73
8	E	1014	1014	27.39
8	E	1014	1014	27.39
9	E	430	430	6.77
9	E	430	430	6.77

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.827
B2	0.000	0.000	-0.827
H3	0.000	1.015	1.456
H4	0.000	-1.015	1.456
H5	1.015	0.000	-1.456
H6	-1.015	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6534	1.1946	1.1946	2.4986	2.4986
B2	1.6534		2.4986	2.4986	1.1946	1.1946
H3	1.1946	2.4986		2.0305	3.2473	3.2473
H4	1.1946	2.4986	2.0305		3.2473	3.2473
H5	2.4986	1.1946	3.2473	3.2473		2.0305
H6	2.4986	1.1946	3.2473	3.2473	2.0305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.805	B1	B2	H6	121.805
B2	B1	H3	121.805	B2	B1	H4	121.805
H3	B1	H4	116.390	H5	B2	H6	116.390

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

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

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