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	hartrees
Energy at 0K	-51.935506
Energy at 298.15K	-51.937974
HF Energy	-51.652686
Nuclear repulsion energy	22.321234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	862	862
2	B₁	529	529
3	E	2646	2646
4	E	2646	2646
5	E	2597	2597
6	E	2577	2577
7	E	1230	1230
7	E	1170	1170
8	E	1008	1008
8	E	1008	1008
9	E	420	420
9	E	420	420

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.823
B2	0.000	0.000	-0.823
H3	0.000	1.013	1.454
H4	0.000	-1.013	1.454
H5	1.013	0.000	-1.454
H6	-1.013	0.000	-1.454

	B1	B2	H3	H4	H5	H6
B1		1.6465	1.1937	1.1937	2.4925	2.4925
B2	1.6465		2.4925	2.4925	1.1937	1.1937
H3	1.1937	2.4925		2.0269	3.2419	3.2419
H4	1.1937	2.4925	2.0269		3.2419	3.2419
H5	2.4925	1.1937	3.2419	3.2419		2.0269
H6	2.4925	1.1937	3.2419	3.2419	2.0269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.894	B1	B2	H6	121.894
B2	B1	H3	121.894	B2	B1	H4	121.894
H3	B1	H4	116.211	H5	B2	H6	116.211

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

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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: CCSD(T)=FULL/Def2TZVPP

States and conformations

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