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	hartrees
Energy at 0K	-51.834368
Energy at 298.15K	-51.836859
HF Energy	-51.638308
Nuclear repulsion energy	22.014179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2598	2598	0.00
2	A₁	1234	1234	0.00
3	A₁	857	857	0.00
4	B₁	499	499	0.00
5	B₂	2577	2577	94.47
6	B₂	1172	1172	21.08
7	E	2649	2649	107.53
7	E	2649	2649	107.53
8	E	1014	1014	25.43
8	E	1014	1014	25.43
9	E	437	437	9.12
9	E	437	437	9.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.026	1.473
H4	0.000	-1.026	1.473
H5	1.026	0.000	-1.473
H6	-1.026	0.000	-1.473

	B1	B2	H3	H4	H5	H6
B1		1.6742	1.2074	1.2074	2.5280	2.5280
B2	1.6742		2.5280	2.5280	1.2074	1.2074
H3	1.2074	2.5280		2.0524	3.2846	3.2846
H4	1.2074	2.5280	2.0524		3.2846	3.2846
H5	2.5280	1.2074	3.2846	3.2846		2.0524
H6	2.5280	1.2074	3.2846	3.2846	2.0524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.799	B1	B2	H6	121.799
B2	B1	H3	121.799	B2	B1	H4	121.799
H3	B1	H4	116.403	H5	B2	H6	116.403

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

using model chemistry: CISD/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: CISD/daug-cc-pVDZ

States and conformations

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