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	hartrees
Energy at 0K	-51.987940
Energy at 298.15K
HF Energy	-51.652092
Nuclear repulsion energy	22.302204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2594	2594	0.00
2	A₁	1233	1233	0.00
3	A₁	863	863	0.00
4	B₁	517	517	0.00
5	B₂	2574	2574	78.67
6	B₂	1171	1171	12.75
7	E	2646	2646	93.09
7	E	2646	2646	93.09
8	E	1011	1011	25.16
8	E	1011	1011	25.16
9	E	426	426	6.78
9	E	426	426	6.78

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.824
B2	0.000	0.000	-0.824
H3	0.000	1.015	1.454
H4	0.000	-1.015	1.454
H5	1.015	0.000	-1.454
H6	-1.015	0.000	-1.454

	B1	B2	H3	H4	H5	H6
B1		1.6477	1.1951	1.1951	2.4940	2.4940
B2	1.6477		2.4940	2.4940	1.1951	1.1951
H3	1.1951	2.4940		2.0308	3.2435	3.2435
H4	1.1951	2.4940	2.0308		3.2435	3.2435
H5	2.4940	1.1951	3.2435	3.2435		2.0308
H6	2.4940	1.1951	3.2435	3.2435	2.0308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.830	B1	B2	H6	121.830
B2	B1	H3	121.830	B2	B1	H4	121.830
H3	B1	H4	116.340	H5	B2	H6	116.340

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

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

States and conformations

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