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	hartrees
Energy at 0K	-52.019842
Energy at 298.15K	-52.022239
HF Energy	-52.019842
Nuclear repulsion energy	22.345332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2554	2458	0.00
2	A₁	1188	1143	0.00
3	A₁	869	837	0.00
4	B₁	564	543	0.00
5	B₂	2531	2437	64.26
6	B₂	1119	1078	1.72
7	E	2602	2505	82.33
7	E	2602	2505	82.33
8	E	975	939	25.06
8	E	975	939	25.06
9	E	383	369	2.24
9	E	383	369	2.24

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.815
B2	0.000	0.000	-0.815
H3	0.000	1.017	1.457
H4	0.000	-1.017	1.457
H5	1.017	0.000	-1.457
H6	-1.017	0.000	-1.457

	B1	B2	H3	H4	H5	H6
B1		1.6296	1.2023	1.2023	2.4887	2.4887
B2	1.6296		2.4887	2.4887	1.2023	1.2023
H3	1.2023	2.4887		2.0332	3.2490	3.2490
H4	1.2023	2.4887	2.0332		3.2490	3.2490
H5	2.4887	1.2023	3.2490	3.2490		2.0332
H6	2.4887	1.2023	3.2490	3.2490	2.0332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.273	B1	B2	H6	122.273
B2	B1	H3	122.273	B2	B1	H4	122.273
H3	B1	H4	115.453	H5	B2	H6	115.453

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

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	B	-0.177
2	B	-0.177
3	H	0.089
4	H	0.089
5	H	0.089
6	H	0.089

<r²>	28.802
(<r²>)^1/2	5.367

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

using model chemistry: B3PW91/6-311G*

States and conformations

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