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	hartrees
Energy at 0K	-51.813883
Energy at 298.15K	-51.816383
HF Energy	-51.634260
Nuclear repulsion energy	22.181681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1241	1194
2	A₁	880	847
3	B₁	526	506
4	B₂	1180	1135
5	E	2659	2558
6	E	2659	2558
7	E	2605	2506
7	E	2585	2487
8	E	1014	976
8	E	1014	976
9	E	443	426
9	E	443	426

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.020	1.466
H4	0.000	-1.020	1.466
H5	1.020	0.000	-1.466
H6	-1.020	0.000	-1.466

	B1	B2	H3	H4	H5	H6
B1		1.6524	1.2039	1.2039	2.5087	2.5087
B2	1.6524		2.5087	2.5087	1.2039	1.2039
H3	1.2039	2.5087		2.0399	3.2672	3.2672
H4	1.2039	2.5087	2.0399		3.2672	3.2672
H5	2.5087	1.2039	3.2672	3.2672		2.0399
H6	2.5087	1.2039	3.2672	3.2672	2.0399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.092	B1	B2	H6	122.092
B2	B1	H3	122.092	B2	B1	H4	122.092
H3	B1	H4	115.817	H5	B2	H6	115.817

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

using model chemistry: CCSD(T)/6-31G*

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(T)/6-31G*

States and conformations

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