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	hartrees
Energy at 0K	-51.897260
Energy at 298.15K	-51.899721
HF Energy	-51.651709
Nuclear repulsion energy	22.247557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	858	814
2	B₁	521	494
3	E	2630	2495
4	E	2630	2494
5	E	2576	2444
6	E	2556	2425
7	E	1225	1162
7	E	1163	1103
8	E	1004	952
8	E	1004	952
9	E	417	396
9	E	417	395

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.017	1.458
H4	0.000	-1.017	1.458
H5	1.017	0.000	-1.458
H6	-1.017	0.000	-1.458

	B1	B2	H3	H4	H5	H6
B1		1.6515	1.1980	1.1980	2.5004	2.5004
B2	1.6515		2.5004	2.5004	1.1980	1.1980
H3	1.1980	2.5004		2.0347	3.2523	3.2523
H4	1.1980	2.5004	2.0347		3.2523	3.2523
H5	2.5004	1.1980	3.2523	3.2523		2.0347
H6	2.5004	1.1980	3.2523	3.2523	2.0347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.874	B1	B2	H6	121.874
B2	B1	H3	121.874	B2	B1	H4	121.874
H3	B1	H4	116.251	H5	B2	H6	116.251

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

using model chemistry: QCISD(T)/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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for B2H4 (Diborane(4) D2d)

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

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