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	hartrees
Energy at 0K	-51.844831
Energy at 298.15K	-51.847310
HF Energy	-51.636989
Nuclear repulsion energy	21.956414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2593	2593	0.00
2	A₁	1230	1230	0.00
3	A₁	858	858	0.00
4	B₁	496	496	0.00
5	B₂	2572	2572	88.92
6	B₂	1164	1164	18.46
7	E	2648	2648	97.15
7	E	2648	2648	97.15
8	E	1008	1008	23.39
8	E	1008	1008	23.39
9	E	438	438	6.10
9	E	438	438	6.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.031	1.477
H4	0.000	-1.031	1.477
H5	1.031	0.000	-1.477
H6	-1.031	0.000	-1.477

	B1	B2	H3	H4	H5	H6
B1		1.6748	1.2131	1.2131	2.5337	2.5337
B2	1.6748		2.5337	2.5337	1.2131	1.2131
H3	1.2131	2.5337		2.0613	3.2945	3.2945
H4	1.2131	2.5337	2.0613		3.2945	3.2945
H5	2.5337	1.2131	3.2945	3.2945		2.0613
H6	2.5337	1.2131	3.2945	3.2945	2.0613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.835	B1	B2	H6	121.835
B2	B1	H3	121.835	B2	B1	H4	121.835
H3	B1	H4	116.329	H5	B2	H6	116.329

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

using model chemistry: CCSD=FULL/cc-pVDZ

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: CCSD=FULL/cc-pVDZ

States and conformations

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