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	hartrees
Energy at 0K	-51.927072
Energy at 298.15K	-51.929568
HF Energy	-51.651752
Nuclear repulsion energy	22.387837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2474	0.00
2	A₁	1236	1176	0.00
3	A₁	872	829	0.00
4	B₁	533	507	0.00
5	B₂	2582	2455	76.98
6	B₂	1181	1123	11.58
7	E	2654	2524	91.55
7	E	2654	2524	91.55
8	E	1011	961	25.91
8	E	1011	961	25.91
9	E	426	405	6.63
9	E	426	405	6.63

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.820
B2	0.000	0.000	-0.820
H3	0.000	1.011	1.450
H4	0.000	-1.011	1.450
H5	1.011	0.000	-1.450
H6	-1.011	0.000	-1.450

	B1	B2	H3	H4	H5	H6
B1		1.6406	1.1909	1.1909	2.4849	2.4849
B2	1.6406		2.4849	2.4849	1.1909	1.1909
H3	1.1909	2.4849		2.0223	3.2326	3.2326
H4	1.1909	2.4849	2.0223		3.2326	3.2326
H5	2.4849	1.1909	3.2326	3.2326		2.0223
H6	2.4849	1.1909	3.2326	3.2326	2.0223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.895	B1	B2	H6	121.895
B2	B1	H3	121.895	B2	B1	H4	121.895
H3	B1	H4	116.210	H5	B2	H6	116.210

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

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

States and conformations

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