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	hartrees
Energy at 0K	-51.964884
Energy at 298.15K	-51.967346
HF Energy	-51.654796
Nuclear repulsion energy	22.381739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1230	1188
2	A₁	868	838
3	B₁	533	515
4	B₂	1167	1127
5	E	2648	2557
6	E	2648	2556
7	E	2593	2503
7	E	2573	2484
8	E	1005	971
8	E	1005	971
9	E	413	398
9	E	412	398

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.014	1.448
H4	0.000	-1.014	1.448
H5	1.014	0.000	-1.448
H6	-1.014	0.000	-1.448

	B1	B2	H3	H4	H5	H6
B1		1.6379	1.1935	1.1935	2.4836	2.4836
B2	1.6379		2.4836	2.4836	1.1935	1.1935
H3	1.1935	2.4836		2.0283	3.2320	3.2320
H4	1.1935	2.4836	2.0283		3.2320	3.2320
H5	2.4836	1.1935	3.2320	3.2320		2.0283
H6	2.4836	1.1935	3.2320	3.2320	2.0283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.817	B1	B2	H6	121.817
B2	B1	H3	121.817	B2	B1	H4	121.817
H3	B1	H4	116.367	H5	B2	H6	116.367

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

using model chemistry: CCSD(T)=FULL/cc-pVQZ

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(T)=FULL/cc-pVQZ

States and conformations

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