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	hartrees
Energy at 0K	-51.739653
Energy at 298.15K	-51.742222
HF Energy	-51.614215
Nuclear repulsion energy	22.059043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2585	2585	0.00
2	A₁	1245	1245	0.00
3	A₁	873	873	0.00
4	B₁	536	536	0.00
5	B₂	2563	2563	90.52
6	B₂	1198	1198	13.59
7	E	2640	2640	98.91
7	E	2640	2640	98.91
8	E	1026	1026	28.05
8	E	1026	1026	28.05
9	E	472	472	4.69
9	E	472	472	4.69

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.833
B2	0.000	0.000	-0.833
H3	0.000	1.024	1.473
H4	0.000	-1.024	1.473
H5	1.024	0.000	-1.473
H6	-1.024	0.000	-1.473

	B1	B2	H3	H4	H5	H6
B1		1.6664	1.2075	1.2075	2.5236	2.5236
B2	1.6664		2.5236	2.5236	1.2075	1.2075
H3	1.2075	2.5236		2.0476	3.2833	3.2833
H4	1.2075	2.5236	2.0476		3.2833	3.2833
H5	2.5236	1.2075	3.2833	3.2833		2.0476
H6	2.5236	1.2075	3.2833	3.2833	2.0476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.018	B1	B2	H6	122.018
B2	B1	H3	122.018	B2	B1	H4	122.018
H3	B1	H4	115.964	H5	B2	H6	115.964

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

using model chemistry: MP3=FULL/6-31G

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: MP3=FULL/6-31G

States and conformations

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