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	hartrees
Energy at 0K	-52.019239
Energy at 298.15K	-52.021694
HF Energy	-52.019239
Nuclear repulsion energy	22.398799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2636	2636	0.00
2	A₁	1224	1224	0.00
3	A₁	875	875	0.00
4	B₁	542	542	0.00
5	B₂	2616	2616	68.43
6	B₂	1159	1159	6.37
7	E	2683	2683	83.16
7	E	2683	2683	83.16
8	E	1004	1004	25.49
8	E	1004	1004	25.49
9	E	410	410	5.89
9	E	410	410	5.89

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.818
B2	0.000	0.000	-0.818
H3	0.000	1.013	1.448
H4	0.000	-1.013	1.448
H5	1.013	0.000	-1.448
H6	-1.013	0.000	-1.448

	B1	B2	H3	H4	H5	H6
B1		1.6366	1.1927	1.1927	2.4821	2.4821
B2	1.6366		2.4821	2.4821	1.1927	1.1927
H3	1.1927	2.4821		2.0264	3.2303	3.2303
H4	1.1927	2.4821	2.0264		3.2303	3.2303
H5	2.4821	1.1927	3.2303	3.2303		2.0264
H6	2.4821	1.1927	3.2303	3.2303	2.0264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.844	B1	B2	H6	121.844
B2	B1	H3	121.844	B2	B1	H4	121.844
H3	B1	H4	116.312	H5	B2	H6	116.312

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	B	0.181
2	B	0.181
3	H	-0.091
4	H	-0.091
5	H	-0.091
6	H	-0.091

<r²>	28.754
(<r²>)^1/2	5.362

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

using model chemistry: M06-2X/daug-cc-pVTZ

States and conformations

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