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	hartrees
Energy at 0K	-51.927667
Energy at 298.15K	-51.930138
HF Energy	-51.650159
Nuclear repulsion energy	22.300919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2593	2593	0.00
2	A₁	1229	1229	0.00
3	A₁	864	864	0.00
4	B₁	520	520	0.00
5	B₂	2573	2573	76.92
6	B₂	1168	1168	12.30
7	E	2644	2644	91.38
7	E	2644	2644	91.38
8	E	1010	1010	25.51
8	E	1010	1010	25.51
9	E	422	422	6.80
9	E	422	422	6.80

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.824
B2	0.000	0.000	-0.824
H3	0.000	1.015	1.455
H4	0.000	-1.015	1.455
H5	1.015	0.000	-1.455
H6	-1.015	0.000	-1.455

	B1	B2	H3	H4	H5	H6
B1		1.6477	1.1951	1.1951	2.4945	2.4945
B2	1.6477		2.4945	2.4945	1.1951	1.1951
H3	1.1951	2.4945		2.0301	3.2443	3.2443
H4	1.1951	2.4945	2.0301		3.2443	3.2443
H5	2.4945	1.1951	3.2443	3.2443		2.0301
H6	2.4945	1.1951	3.2443	3.2443	2.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.861	B1	B2	H6	121.861
B2	B1	H3	121.861	B2	B1	H4	121.861
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/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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