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	hartrees
Energy at 0K	-51.847648
Energy at 298.15K	-51.850106
HF Energy	-51.637942
Nuclear repulsion energy	21.968170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2569	2475	0.00
2	A₁	1219	1175	0.00
3	A₁	852	821	0.00
4	B₁	495	477	0.00
5	B₂	2549	2456	88.08
6	B₂	1156	1114	19.59
7	E	2621	2525	102.47
7	E	2621	2525	102.47
8	E	999	962	23.16
8	E	999	962	23.16
9	E	428	413	8.60
9	E	428	413	8.60

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.838
B2	0.000	0.000	-0.838
H3	0.000	1.029	1.477
H4	0.000	-1.029	1.477
H5	1.029	0.000	-1.477
H6	-1.029	0.000	-1.477

	B1	B2	H3	H4	H5	H6
B1		1.6755	1.2114	1.2114	2.5329	2.5329
B2	1.6755		2.5329	2.5329	1.2114	1.2114
H3	1.2114	2.5329		2.0583	3.2925	3.2925
H4	1.2114	2.5329	2.0583		3.2925	3.2925
H5	2.5329	1.2114	3.2925	3.2925		2.0583
H6	2.5329	1.2114	3.2925	3.2925	2.0583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.834	B1	B2	H6	121.834
B2	B1	H3	121.834	B2	B1	H4	121.834
H3	B1	H4	116.331	H5	B2	H6	116.331

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

using model chemistry: CCSD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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