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	hartrees
Energy at 0K	-51.890906
Energy at 298.15K	-51.893433
HF Energy	-51.650566
Nuclear repulsion energy	22.294669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2637	2462	0.00
2	A₁	1256	1173	0.00
3	A₁	870	813	0.00
4	B₁	521	486	0.00
5	B₂	2617	2444	82.58
6	B₂	1197	1118	16.19
7	E	2695	2517	92.30
7	E	2695	2517	92.30
8	E	1025	957	28.37
8	E	1025	957	28.37
9	E	446	417	6.67
9	E	446	417	6.67

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.826
B2	0.000	0.000	-0.826
H3	0.000	1.013	1.456
H4	0.000	-1.013	1.456
H5	1.013	0.000	-1.456
H6	-1.013	0.000	-1.456

	B1	B2	H3	H4	H5	H6
B1		1.6515	1.1932	1.1932	2.4965	2.4965
B2	1.6515		2.4965	2.4965	1.1932	1.1932
H3	1.1932	2.4965		2.0263	3.2453	3.2453
H4	1.1932	2.4965	2.0263		3.2453	3.2453
H5	2.4965	1.1932	3.2453	3.2453		2.0263
H6	2.4965	1.1932	3.2453	3.2453	2.0263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.880	B1	B2	H6	121.880
B2	B1	H3	121.880	B2	B1	H4	121.880
H3	B1	H4	116.240	H5	B2	H6	116.240

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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