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	hartrees
Energy at 0K	-51.996590
Energy at 298.15K
HF Energy	-51.918594
Nuclear repulsion energy	22.427536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2602	2602	0.00
2	A₁	1221	1221	0.00
3	A₁	871	871	0.00
4	B₁	556	556	0.00
5	B₂	2583	2583	67.93
6	B₂	1161	1161	5.55
7	E	2651	2651	85.38
7	E	2651	2651	85.41
8	E	1007	1007	26.85
8	E	1007	1007	26.85
9	E	406	406	5.05
9	E	406	406	5.05

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.816
B2	0.000	0.000	-0.816
H3	0.000	1.011	1.448
H4	0.000	-1.011	1.448
H5	1.011	0.000	-1.448
H6	-1.011	0.000	-1.448

	B1	B2	H3	H4	H5	H6
B1		1.6328	1.1921	1.1921	2.4796	2.4796
B2	1.6328		2.4796	2.4796	1.1921	1.1921
H3	1.1921	2.4796		2.0224	3.2293	3.2293
H4	1.1921	2.4796	2.0224		3.2293	3.2293
H5	2.4796	1.1921	3.2293	3.2293		2.0224
H6	2.4796	1.1921	3.2293	3.2293	2.0224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.977	B1	B2	H6	121.977
B2	B1	H3	121.977	B2	B1	H4	121.977
H3	B1	H4	116.045	H5	B2	H6	116.045

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

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