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	hartrees
Energy at 0K	-52.013053
Energy at 298.15K
HF Energy	-51.919242
Nuclear repulsion energy	22.408412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2599	2599	0.00
2	A₁	1220	1220	0.00
3	A₁	868	868	0.00
4	B₁	552	552	0.00
5	B₂	2580	2580	68.32
6	B₂	1158	1158	5.65
7	E	2647	2647	85.95
7	E	2647	2647	85.94
8	E	1006	1006	26.57
8	E	1006	1006	26.57
9	E	405	405	5.12
9	E	405	405	5.12

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.817
B2	0.000	0.000	-0.817
H3	0.000	1.012	1.449
H4	0.000	-1.012	1.449
H5	1.012	0.000	-1.449
H6	-1.012	0.000	-1.449

	B1	B2	H3	H4	H5	H6
B1		1.6343	1.1930	1.1930	2.4816	2.4816
B2	1.6343		2.4816	2.4816	1.1930	1.1930
H3	1.1930	2.4816		2.0243	3.2317	3.2317
H4	1.1930	2.4816	2.0243		3.2317	3.2317
H5	2.4816	1.1930	3.2317	3.2317		2.0243
H6	2.4816	1.1930	3.2317	3.2317	2.0243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.962	B1	B2	H6	121.962
B2	B1	H3	121.962	B2	B1	H4	121.962
H3	B1	H4	116.077	H5	B2	H6	116.077

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: B2PLYP=FULL/aug-cc-pCVTZ

States and conformations

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