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	hartrees
Energy at 0K	-51.642659
Energy at 298.15K
HF Energy	-51.607370
Nuclear repulsion energy	22.308946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2627	2627	0.00
2	A₁	1235	1235	0.00
3	A₁	895	895	0.00
4	B₁	565	565	0.00
5	B₂	2607	2607	58.22
6	B₂	1186	1186	3.87
7	E	2679	2679	64.14
7	E	2679	2679	64.14
8	E	1010	1010	30.89
8	E	1010	1010	30.89
9	E	442	442	1.06
9	E	442	442	1.06

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.819
B2	0.000	0.000	-0.819
H3	0.000	1.017	1.457
H4	0.000	-1.017	1.457
H5	1.017	0.000	-1.457
H6	-1.017	0.000	-1.457

	B1	B2	H3	H4	H5	H6
B1		1.6386	1.2002	1.2002	2.4931	2.4931
B2	1.6386		2.4931	2.4931	1.2002	1.2002
H3	1.2002	2.4931		2.0334	3.2496	3.2496
H4	1.2002	2.4931	2.0334		3.2496	3.2496
H5	2.4931	1.2002	3.2496	3.2496		2.0334
H6	2.4931	1.2002	3.2496	3.2496	2.0334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	122.100	B1	B2	H6	122.100
B2	B1	H3	122.100	B2	B1	H4	122.100
H3	B1	H4	115.799	H5	B2	H6	115.799

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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: B2PLYP=FULLultrafine/3-21G

States and conformations

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