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	hartrees
Energy at 0K	-51.877582
Energy at 298.15K	-51.872811
HF Energy	-51.632767
Nuclear repulsion energy	22.036178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2679	2679	0.00
2	A₁	1316	1316	0.00
3	A₁	866	866	0.00
4	B₁	480	480	0.00
5	B₂	2653	2653	131.25
6	B₂	1255	1255	35.05
7	E	2727	2727	133.35
7	E	2727	2727	133.35
8	E	1061	1061	36.45
8	E	1061	1061	36.45
9	E	492	492	11.05
9	E	492	492	11.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.841
B2	0.000	0.000	-0.841
H3	0.000	1.019	1.474
H4	0.000	-1.019	1.474
H5	1.019	0.000	-1.474
H6	-1.019	0.000	-1.474

	B1	B2	H3	H4	H5	H6
B1		1.6829	1.1991	1.1991	2.5297	2.5297
B2	1.6829		2.5297	2.5297	1.1991	1.1991
H3	1.1991	2.5297		2.0371	3.2813	3.2813
H4	1.1991	2.5297	2.0371		3.2813	3.2813
H5	2.5297	1.1991	3.2813	3.2813		2.0371
H6	2.5297	1.1991	3.2813	3.2813	2.0371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.845	B1	B2	H6	121.845
B2	B1	H3	121.845	B2	B1	H4	121.845
H3	B1	H4	116.310	H5	B2	H6	116.310

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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