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	hartrees
Energy at 0K	-51.373483
Energy at 298.15K	-51.375771
HF Energy	-51.373483
Nuclear repulsion energy	22.439842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2536	2495	0.00
2	A₁	1147	1128	0.00
3	A₁	914	899	0.00
4	B₁	623	613	0.00
5	B₂	2513	2472	14.20
6	B₂	1071	1054	6.56
7	E	2589	2547	24.48
7	E	2589	2547	24.48
8	E	924	908	20.32
8	E	924	908	20.32
9	E	326	320	1.10
9	E	326	320	1.10

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.799
B2	0.000	0.000	-0.799
H3	0.000	1.022	1.455
H4	0.000	-1.022	1.455
H5	1.022	0.000	-1.455
H6	-1.022	0.000	-1.455

	B1	B2	H3	H4	H5	H6
B1		1.5984	1.2141	1.2141	2.4748	2.4748
B2	1.5984		2.4748	2.4748	1.2141	1.2141
H3	1.2141	2.4748		2.0437	3.2487	3.2487
H4	1.2141	2.4748	2.0437		3.2487	3.2487
H5	2.4748	1.2141	3.2487	3.2487		2.0437
H6	2.4748	1.2141	3.2487	3.2487	2.0437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.683	B1	B2	H6	122.683
B2	B1	H3	122.683	B2	B1	H4	122.683
H3	B1	H4	114.634	H5	B2	H6	114.634

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

using model chemistry: LSDA/3-21G

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	-0.164
2	B	-0.164
3	H	0.082
4	H	0.082
5	H	0.082
6	H	0.082

<r²>	28.446
(<r²>)^1/2	5.333

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

using model chemistry: LSDA/3-21G

States and conformations

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