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	hartrees
Energy at 0K	-51.998133
Energy at 298.15K	-52.001072
HF Energy	-51.998133
Nuclear repulsion energy	24.831672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2889	2746	0.21
2	A₁	2166	2058	20.03
3	A₁	1372	1304	3.39
4	A₁	1127	1071	2.58
5	A₁	741	704	0.42
6	A₂	1347	1280	0.00
7	A₂	705	670	0.00
8	B₁	2174	2066	68.35
9	B₁	816	775	2.72
10	B₂	2850	2709	38.13
11	B₂	1399	1330	214.25
12	B₂	559	531	34.37

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.733	-0.117
B2	0.000	-0.733	-0.117
H3	0.894	0.000	0.565
H4	-0.894	0.000	0.565
H5	0.000	1.899	0.020
H6	0.000	-1.899	0.020

	B1	B2	H3	H4	H5	H6
B1		1.4666	1.3424	1.3424	1.1738	2.6360
B2	1.4666		1.3424	1.3424	2.6360	1.1738
H3	1.3424	1.3424		1.7874	2.1687	2.1687
H4	1.3424	1.3424	1.7874		2.1687	2.1687
H5	1.1738	2.6360	2.1687	2.1687		3.7982
H6	2.6360	1.1738	2.1687	2.1687	3.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.888	B1	B2	H4	56.888
B1	B2	H6	173.323	B1	H3	B2	66.224
B1	H4	B2	66.224	B2	B1	H3	56.888
B2	B1	H4	56.888	B2	B1	H5	173.323
H3	B1	H4	83.481	H3	B1	H5	118.913
H3	B2	H4	83.481	H3	B2	H6	118.913
H4	B1	H5	118.913	H4	B2	H6	118.913

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

using model chemistry: M06-2X/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	-0.085
2	B	-0.085
3	H	0.050
4	H	0.050
5	H	0.034
6	H	0.034

	x	y	z	Total
	0.000	0.000	1.016	1.016
CHELPG
AIM
ESP

<r²>	24.033
(<r²>)^1/2	4.902