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	hartrees
Energy at 0K	-51.998891
Energy at 298.15K	-52.001690
HF Energy	-51.998891
Nuclear repulsion energy	24.594463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2799	2744	0.09
2	A₁	2084	2043	29.88
3	A₁	1343	1317	3.15
4	A₁	1156	1133	4.83
5	A₁	719	705	0.59
6	A₂	1208	1184	0.00
7	A₂	612	600	0.00
8	B₁	2081	2040	85.87
9	B₁	789	773	2.49
10	B₂	2762	2707	50.53
11	B₂	1299	1273	183.54
12	B₂	486	477	36.43

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.738	-0.122
B2	0.000	-0.738	-0.122
H3	0.904	0.000	0.582
H4	-0.904	0.000	0.582
H5	0.000	1.913	0.027
H6	0.000	-1.913	0.027

	B1	B2	H3	H4	H5	H6
B1		1.4761	1.3623	1.3623	1.1844	2.6552
B2	1.4761		1.3623	1.3623	2.6552	1.1844
H3	1.3623	1.3623		1.8073	2.1873	2.1873
H4	1.3623	1.3623	1.8073		2.1873	2.1873
H5	1.1844	2.6552	2.1873	2.1873		3.8261
H6	2.6552	1.1844	2.1873	2.1873	3.8261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.889	B1	B2	H4	56.889
B1	B2	H6	173.394	B1	H3	B2	66.222
B1	H4	B2	66.222	B2	B1	H3	56.889
B2	B1	H4	56.889	B2	B1	H5	173.394
H3	B1	H4	84.081	H3	B1	H5	118.997
H3	B2	H4	84.081	H3	B2	H6	118.997
H4	B1	H5	118.997	H4	B2	H6	118.997

All results from a given calculation for HBHHBH (Diborane(4) C2V)

using model chemistry: B97D3/6-31G*

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	-0.131
2	B	-0.131
3	H	0.090
4	H	0.090
5	H	0.041
6	H	0.041

	x	y	z	Total
	0.000	0.000	1.027	1.027
CHELPG
AIM
ESP

<r²>	24.288
(<r²>)^1/2	4.928