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	hartrees
Energy at 0K	-51.684324
Energy at 298.15K
HF Energy	-51.684324
Nuclear repulsion energy	22.563194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2509	2509	0.00
2	A₁	1126	1126	0.00
3	A₁	883	883	0.00
4	B₁	622	622	0.00
5	B₂	2489	2489	19.02
6	B₂	1032	1032	5.60
7	E	2559	2559	36.06
7	E	2559	2559	36.06
8	E	920	920	17.80
8	E	920	920	17.80
9	E	268	268	0.19
9	E	268	268	0.19

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		1.5903	1.2072	1.2072	2.4603	2.4603
B2	1.5903		2.4603	2.4603	1.2072	1.2072
H3	1.2072	2.4603		2.0348	3.2283	3.2283
H4	1.2072	2.4603	2.0348		3.2283	3.2283
H5	2.4603	1.2072	3.2283	3.2283		2.0348
H6	2.4603	1.2072	3.2283	3.2283	2.0348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.566	B1	B2	H6	122.566
B2	B1	H3	122.566	B2	B1	H4	122.566
H3	B1	H4	114.868	H5	B2	H6	114.868

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

using model chemistry: LSDA/aug-cc-pCVTZ

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	-0.004
2	B	-0.004
3	H	0.002
4	H	0.002
5	H	0.002
6	H	0.002

<r²>	28.324
(<r²>)^1/2	5.322

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

using model chemistry: LSDA/aug-cc-pCVTZ

States and conformations

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