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	hartrees
Energy at 0K	-51.853245
Energy at 298.15K	-51.855684
HF Energy	-51.638162
Nuclear repulsion energy	21.968750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1208	1208
2	A₁	850	850
3	B₁	503	503
4	B₂	1143	1143
5	E	2606	2606
6	E	2606	2606
7	E	2554	2554
7	E	2535	2535
8	E	994	994
8	E	994	994
9	E	416	416
9	E	415	415

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.029	1.477
H4	0.000	-1.029	1.477
H5	1.029	0.000	-1.477
H6	-1.029	0.000	-1.477

	B1	B2	H3	H4	H5	H6
B1		1.6738	1.2123	1.2123	2.5327	2.5327
B2	1.6738		2.5327	2.5327	1.2123	1.2123
H3	1.2123	2.5327		2.0587	3.2936	3.2936
H4	1.2123	2.5327	2.0587		3.2936	3.2936
H5	2.5327	1.2123	3.2936	3.2936		2.0587
H6	2.5327	1.2123	3.2936	3.2936	2.0587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.884	B1	B2	H6	121.884
B2	B1	H3	121.884	B2	B1	H4	121.884
H3	B1	H4	116.232	H5	B2	H6	116.232

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

using model chemistry: CCSD(T)/daug-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)/daug-cc-pVDZ

States and conformations

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