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	hartrees
Energy at 0K	-51.685555
Energy at 298.15K	-51.688407
HF Energy	-51.685555
Nuclear repulsion energy	24.742228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2783	2741	0.00
2	A₁	2114	2083	14.31
3	A₁	1352	1332	1.65
4	A₁	1067	1051	0.33
5	A₁	683	673	6.93
6	A₂	1303	1284	0.00
7	A₂	684	674	0.00
8	B₁	2131	2099	28.69
9	B₁	760	749	1.47
10	B₂	2743	2702	21.20
11	B₂	1334	1314	147.80
12	B₂	529	521	24.83

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.733	-0.119
B2	0.000	-0.733	-0.119
H3	0.904	0.000	0.562
H4	-0.904	0.000	0.562
H5	0.000	1.909	0.031
H6	0.000	-1.909	0.031

	B1	B2	H3	H4	H5	H6
B1		1.4655	1.3481	1.3481	1.1860	2.6464
B2	1.4655		1.3481	1.3481	2.6464	1.1860
H3	1.3481	1.3481		1.8077	2.1784	2.1784
H4	1.3481	1.3481	1.8077		2.1784	2.1784
H5	1.1860	2.6464	2.1784	2.1784		3.8188
H6	2.6464	1.1860	2.1784	2.1784	3.8188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.073	B1	B2	H4	57.073
B1	B2	H6	172.781	B1	H3	B2	65.853
B1	H4	B2	65.853	B2	B1	H3	57.073
B2	B1	H4	57.073	B2	B1	H5	172.781
H3	B1	H4	84.207	H3	B1	H5	118.411
H3	B2	H4	84.207	H3	B2	H6	118.411
H4	B1	H5	118.411	H4	B2	H6	118.411

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

using model chemistry: LSDA/6-31+G**

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	-0.145
2	B	-0.145
3	H	0.102
4	H	0.102
5	H	0.043
6	H	0.043

	x	y	z	Total
	0.000	0.000	1.110	1.110
CHELPG
AIM
ESP

<r²>	24.477
(<r²>)^1/2	4.947