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	hartrees
Energy at 0K	-51.851901
Energy at 298.15K	-51.854357
HF Energy	-51.637969
Nuclear repulsion energy	21.993248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2577	2577	0.00
2	A₁	1221	1221	0.00
3	A₁	854	854	0.00
4	B₁	497	497	0.00
5	B₂	2556	2556	87.04
6	B₂	1157	1157	18.89
7	E	2628	2628	101.35
7	E	2628	2628	101.35
8	E	999	999	23.33
8	E	999	999	23.33
9	E	425	425	8.43
9	E	425	425	8.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.837
B2	0.000	0.000	-0.837
H3	0.000	1.028	1.475
H4	0.000	-1.028	1.475
H5	1.028	0.000	-1.475
H6	-1.028	0.000	-1.475

	B1	B2	H3	H4	H5	H6
B1		1.6732	1.2102	1.2102	2.5302	2.5302
B2	1.6732		2.5302	2.5302	1.2102	1.2102
H3	1.2102	2.5302		2.0556	3.2894	3.2894
H4	1.2102	2.5302	2.0556		3.2894	3.2894
H5	2.5302	1.2102	3.2894	3.2894		2.0556
H6	2.5302	1.2102	3.2894	3.2894	2.0556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.862	B1	B2	H6	121.862
B2	B1	H3	121.862	B2	B1	H4	121.862
H3	B1	H4	116.277	H5	B2	H6	116.277

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

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

States and conformations

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