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	hartrees
Energy at 0K	-51.786498
Energy at 298.15K	-51.789029
HF Energy	-51.634431
Nuclear repulsion energy	22.244162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2667	2513	0.00
2	A₁	1268	1195	0.00
3	A₁	883	832	0.00
4	B₁	530	500	0.00
5	B₂	2648	2495	78.99
6	B₂	1208	1138	13.26
7	E	2728	2570	84.82
7	E	2728	2570	84.82
8	E	1034	974	28.59
8	E	1034	974	28.59
9	E	453	426	4.29
9	E	453	426	4.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.016	1.460
H4	0.000	-1.016	1.460
H5	1.016	0.000	-1.460
H6	-1.016	0.000	-1.460

	B1	B2	H3	H4	H5	H6
B1		1.6529	1.1974	1.1974	2.5021	2.5021
B2	1.6529		2.5021	2.5021	1.1974	1.1974
H3	1.1974	2.5021		2.0317	3.2547	3.2547
H4	1.1974	2.5021	2.0317		3.2547	3.2547
H5	2.5021	1.1974	3.2547	3.2547		2.0317
H6	2.5021	1.1974	3.2547	3.2547	2.0317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.959	B1	B2	H6	121.959
B2	B1	H3	121.959	B2	B1	H4	121.959
H3	B1	H4	116.082	H5	B2	H6	116.082

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

using model chemistry: MP2=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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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