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	hartrees
Energy at 0K	-51.984757
Energy at 298.15K	-51.987231
HF Energy	-51.917001
Nuclear repulsion energy	22.376603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2605	2486	0.00
2	A₁	1227	1170	0.00
3	A₁	871	831	0.00
4	B₁	549	523	0.00
5	B₂	2586	2467	71.13
6	B₂	1165	1112	5.77
7	E	2656	2534	86.93
7	E	2656	2534	86.93
8	E	1009	963	27.98
8	E	1009	963	27.98
9	E	412	393	4.30
9	E	412	393	4.30

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	1.451
H4	0.000	-1.013	1.451
H5	1.013	0.000	-1.451
H6	-1.013	0.000	-1.451

	B1	B2	H3	H4	H5	H6
B1		1.6368	1.1946	1.1946	2.4855	2.4855
B2	1.6368		2.4855	2.4855	1.1946	1.1946
H3	1.1946	2.4855		2.0264	3.2368	3.2368
H4	1.1946	2.4855	2.0264		3.2368	3.2368
H5	2.4855	1.1946	3.2368	3.2368		2.0264
H6	2.4855	1.1946	3.2368	3.2368	2.0264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H5	121.987	B1	B2	H6	121.987
B2	B1	H3	121.987	B2	B1	H4	121.987
H3	B1	H4	116.025	H5	B2	H6	116.025

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/TZVP

States and conformations

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