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	hartrees
Energy at 0K	-51.803259
Energy at 298.15K	-51.805789
HF Energy	-51.634432
Nuclear repulsion energy	22.201380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2646	2484	0.00
2	A₁	1257	1180	0.00
3	A₁	882	828	0.00
4	B₁	524	492	0.00
5	B₂	2627	2465	78.09
6	B₂	1197	1124	12.84
7	E	2704	2538	82.97
7	E	2704	2538	82.97
8	E	1027	964	25.77
8	E	1027	964	25.77
9	E	457	429	4.30
9	E	457	429	4.30

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.828
B2	0.000	0.000	-0.828
H3	0.000	1.018	1.464
H4	0.000	-1.018	1.464
H5	1.018	0.000	-1.464
H6	-1.018	0.000	-1.464

	B1	B2	H3	H4	H5	H6
B1		1.6554	1.2000	1.2000	2.5072	2.5072
B2	1.6554		2.5072	2.5072	1.2000	1.2000
H3	1.2000	2.5072		2.0353	3.2619	3.2619
H4	1.2000	2.5072	2.0353		3.2619	3.2619
H5	2.5072	1.2000	3.2619	3.2619		2.0353
H6	2.5072	1.2000	3.2619	3.2619	2.0353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.001	B1	B2	H6	122.001
B2	B1	H3	122.001	B2	B1	H4	122.001
H3	B1	H4	115.998	H5	B2	H6	115.998

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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