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	hartrees
Energy at 0K	-51.564393
Energy at 298.15K
HF Energy	-51.564393
Nuclear repulsion energy	24.645816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2975	2686	0.59
2	A₁	2051	1852	58.24
3	A₁	1409	1272	9.68
4	A₁	1244	1124	38.94
5	A₁	778	702	2.89
6	A₂	1202	1085	0.00
7	A₂	191i	172i	0.00
8	B₁	2018	1822	151.18
9	B₁	859	776	0.18
10	B₂	2932	2647	62.08
11	B₂	1274	1150	281.21
12	B₂	332	299	178.71

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.734	-0.110
B2	0.000	-0.734	-0.110
H3	0.922	0.000	0.603
H4	-0.922	0.000	0.603
H5	0.000	1.896	-0.054
H6	0.000	-1.896	-0.054

	B1	B2	H3	H4	H5	H6
B1		1.4670	1.3771	1.3771	1.1641	2.6304
B2	1.4670		1.3771	1.3771	2.6304	1.1641
H3	1.3771	1.3771		1.8438	2.2085	2.2085
H4	1.3771	1.3771	1.8438		2.2085	2.2085
H5	1.1641	2.6304	2.2085	2.2085		3.7925
H6	2.6304	1.1641	2.2085	2.2085	3.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.814	B1	B2	H4	57.814
B1	B2	H6	177.240	B1	H3	B2	64.371
B1	H4	B2	64.371	B2	B1	H3	57.814
B2	B1	H4	57.814	B2	B1	H5	177.240
H3	B1	H4	84.052	H3	B1	H5	120.472
H3	B2	H4	84.052	H3	B2	H6	120.472
H4	B1	H5	120.472	H4	B2	H6	120.472

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

using model chemistry: HF/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	-0.048
2	B	-0.048
3	H	-0.045
4	H	-0.045
5	H	0.093
6	H	0.093

	x	y	z	Total
	0.000	0.000	0.769	0.769
CHELPG
AIM
ESP

<r²>	24.657
(<r²>)^1/2	4.966