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	hartrees
Energy at 0K	-52.016880
Energy at 298.15K	-52.019709
HF Energy	-52.016880
Nuclear repulsion energy	24.637113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2774	2734	0.03
2	A₁	2047	2018	23.89
3	A₁	1324	1305	2.91
4	A₁	1107	1091	4.55
5	A₁	714	703	3.75
6	A₂	1205	1188	0.00
7	A₂	623	614	0.00
8	B₁	2039	2010	57.31
9	B₁	779	768	1.71
10	B₂	2735	2696	40.19
11	B₂	1293	1275	179.85
12	B₂	511	504	36.54

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.737	-0.119
B2	0.000	-0.737	-0.119
H3	0.903	0.000	0.584
H4	-0.903	0.000	0.584
H5	0.000	1.909	0.009
H6	0.000	-1.909	0.009

	B1	B2	H3	H4	H5	H6
B1		1.4740	1.3612	1.3612	1.1785	2.6487
B2	1.4740		1.3612	1.3612	2.6487	1.1785
H3	1.3612	1.3612		1.8060	2.1885	2.1885
H4	1.3612	1.3612	1.8060		2.1885	2.1885
H5	1.1785	2.6487	2.1885	2.1885		3.8172
H6	2.6487	1.1785	2.1885	2.1885	3.8172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.945	B1	B2	H4	56.945
B1	B2	H6	174.194	B1	H3	B2	66.111
B1	H4	B2	66.111	B2	B1	H3	56.945
B2	B1	H4	56.945	B2	B1	H5	174.194
H3	B1	H4	84.058	H3	B1	H5	119.449
H3	B2	H4	84.058	H3	B2	H6	119.449
H4	B1	H5	119.449	H4	B2	H6	119.449

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

using model chemistry: B97D3/6-311G**

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	-0.093
2	B	-0.093
3	H	0.107
4	H	0.107
5	H	-0.014
6	H	-0.014

	x	y	z	Total
	0.000	0.000	0.971	0.971
CHELPG
AIM
ESP

<r²>	24.527
(<r²>)^1/2	4.953