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	hartrees
Energy at 0K	-51.919614
Energy at 298.15K	-51.922141
HF Energy	-51.651474
Nuclear repulsion energy	22.408503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2613	2477	0.00
2	A₁	1241	1177	0.00
3	A₁	876	831	0.00
4	B₁	547	519	0.00
5	B₂	2590	2456	76.42
6	B₂	1179	1118	11.43
7	E	2669	2531	89.53
7	E	2669	2531	89.53
8	E	1028	974	27.15
8	E	1028	974	27.15
9	E	434	412	6.18
9	E	434	412	6.18

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.011	1.448
H4	0.000	-1.011	1.448
H5	1.011	0.000	-1.448
H6	-1.011	0.000	-1.448

	B1	B2	H3	H4	H5	H6
B1		1.6387	1.1902	1.1902	2.4823	2.4823
B2	1.6387		2.4823	2.4823	1.1902	1.1902
H3	1.1902	2.4823		2.0213	3.2293	3.2293
H4	1.1902	2.4823	2.0213		3.2293	3.2293
H5	2.4823	1.1902	3.2293	3.2293		2.0213
H6	2.4823	1.1902	3.2293	3.2293	2.0213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.880	B1	B2	H6	121.880
B2	B1	H3	121.880	B2	B1	H4	121.880
H3	B1	H4	116.239	H5	B2	H6	116.239

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

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

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

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