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	hartrees
Energy at 0K	-51.682912
Energy at 298.15K	-51.685054
HF Energy	-51.682912
Nuclear repulsion energy	22.560636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2510	2490	0.00
2	A₁	1126	1117	0.00
3	A₁	883	876	0.00
4	B₁	622	617	0.00
5	B₂	2490	2471	19.09
6	B₂	1032	1024	5.46
7	E	2560	2540	36.04
7	E	2560	2540	36.04
8	E	921	914	17.75
8	E	921	914	17.75
9	E	268	266	0.20
9	E	268	266	0.20

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.795
B2	0.000	0.000	-0.795
H3	0.000	1.017	1.445
H4	0.000	-1.017	1.445
H5	1.017	0.000	-1.445
H6	-1.017	0.000	-1.445

	B1	B2	H3	H4	H5	H6
B1		1.5907	1.2072	1.2072	2.4606	2.4606
B2	1.5907		2.4606	2.4606	1.2072	1.2072
H3	1.2072	2.4606		2.0349	3.2285	3.2285
H4	1.2072	2.4606	2.0349		3.2285	3.2285
H5	2.4606	1.2072	3.2285	3.2285		2.0349
H6	2.4606	1.2072	3.2285	3.2285	2.0349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.560	B1	B2	H6	122.560
B2	B1	H3	122.560	B2	B1	H4	122.560
H3	B1	H4	114.879	H5	B2	H6	114.879

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

using model chemistry: SVWN/aug-cc-pVTZ

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	0.088
2	B	0.088
3	H	-0.044
4	H	-0.044
5	H	-0.044
6	H	-0.044

<r²>	28.332
(<r²>)^1/2	5.323

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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