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	hartrees
Energy at 0K	-51.900462
Energy at 298.15K
HF Energy	-51.651920
Nuclear repulsion energy	22.246858

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.018	1.458
H4	0.000	-1.018	1.458
H5	1.018	0.000	-1.458
H6	-1.018	0.000	-1.458

	B1	B2	H3	H4	H5	H6
B1		1.6511	1.1984	1.1984	2.5003	2.5003
B2	1.6511		2.5003	2.5003	1.1984	1.1984
H3	1.1984	2.5003		2.0355	3.2523	3.2523
H4	1.1984	2.5003	2.0355		3.2523	3.2523
H5	2.5003	1.1984	3.2523	3.2523		2.0355
H6	2.5003	1.1984	3.2523	3.2523	2.0355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.867	B1	B2	H6	121.867
B2	B1	H3	121.867	B2	B1	H4	121.867
H3	B1	H4	116.266	H5	B2	H6	116.266

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

using model chemistry: QCISD(TQ)/aug-cc-pVTZ

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: QCISD(TQ)/aug-cc-pVTZ

States and conformations

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