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	hartrees
Energy at 0K	-51.856702
Energy at 298.15K	-51.859135
HF Energy	-51.637919
Nuclear repulsion energy	21.985478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1211	1176
2	A₁	852	828
3	B₁	503	488
4	B₂	1147	1114
5	E	2617	2542
6	E	2617	2542
7	E	2565	2491
7	E	2546	2472
8	E	992	963
8	E	992	963
9	E	413	401
9	E	413	401

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.836
B2	0.000	0.000	-0.836
H3	0.000	1.029	1.476
H4	0.000	-1.029	1.476
H5	1.029	0.000	-1.476
H6	-1.029	0.000	-1.476

	B1	B2	H3	H4	H5	H6
B1		1.6723	1.2115	1.2115	2.5308	2.5308
B2	1.6723		2.5308	2.5308	1.2115	1.2115
H3	1.2115	2.5308		2.0572	3.2913	3.2913
H4	1.2115	2.5308	2.0572		3.2913	3.2913
H5	2.5308	1.2115	3.2913	3.2913		2.0572
H6	2.5308	1.2115	3.2913	3.2913	2.0572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.894	B1	B2	H6	121.894
B2	B1	H3	121.894	B2	B1	H4	121.894
H3	B1	H4	116.212	H5	B2	H6	116.212

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

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

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