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	hartrees
Energy at 0K	-51.848635
Energy at 298.15K	-51.851097
HF Energy	-51.638212
Nuclear repulsion energy	21.977885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2564	2564	0.00
2	A₁	1217	1217	0.00
3	A₁	853	853	0.00
4	B₁	498	498	0.00
5	B₂	2545	2545	88.80
6	B₂	1153	1153	18.77
7	E	2616	2616	102.69
7	E	2616	2616	102.69
8	E	1000	1000	23.32
8	E	1000	1000	23.32
9	E	427	427	8.53
9	E	427	427	8.53

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	1.476
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		1.6744	1.2110	1.2110	2.5319	2.5319
B2	1.6744		2.5319	2.5319	1.2110	1.2110
H3	1.2110	2.5319		2.0572	3.2917	3.2917
H4	1.2110	2.5319	2.0572		3.2917	3.2917
H5	2.5319	1.2110	3.2917	3.2917		2.0572
H6	2.5319	1.2110	3.2917	3.2917	2.0572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.858	B1	B2	H6	121.858
B2	B1	H3	121.858	B2	B1	H4	121.858
H3	B1	H4	116.284	H5	B2	H6	116.284

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

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

States and conformations

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