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	hartrees
Energy at 0K	-51.685773
Energy at 298.15K	-51.688659
HF Energy	-51.685773
Nuclear repulsion energy	24.791779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2794	2749	0.15
2	A₁	2112	2078	5.71
3	A₁	1349	1328	1.38
4	A₁	1074	1057	0.00
5	A₁	704	692	2.17
6	A₂	1304	1283	0.00
7	A₂	693	682	0.00
8	B₁	2122	2088	27.18
9	B₁	770	757	1.22
10	B₂	2751	2707	9.66
11	B₂	1344	1322	142.71
12	B₂	548	540	19.29

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.119
B2	0.000	-0.731	-0.119
H3	0.896	0.000	0.573
H4	-0.896	0.000	0.573
H5	0.000	1.905	0.022
H6	0.000	-1.905	0.022

	B1	B2	H3	H4	H5	H6
B1		1.4614	1.3474	1.3474	1.1831	2.6398
B2	1.4614		1.3474	1.3474	2.6398	1.1831
H3	1.3474	1.3474		1.7916	2.1764	2.1764
H4	1.3474	1.3474	1.7916		2.1764	2.1764
H5	1.1831	2.6398	2.1764	2.1764		3.8108
H6	2.6398	1.1831	2.1764	2.1764	3.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.158	B1	B2	H4	57.158
B1	B2	H6	173.153	B1	H3	B2	65.684
B1	H4	B2	65.684	B2	B1	H3	57.158
B2	B1	H4	57.158	B2	B1	H5	173.153
H3	B1	H4	83.344	H3	B1	H5	118.504
H3	B2	H4	83.344	H3	B2	H6	118.504
H4	B1	H5	118.504	H4	B2	H6	118.504

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.258
2	B	-0.258
3	H	0.165
4	H	0.165
5	H	0.093
6	H	0.093

	x	y	z	Total
	0.000	0.000	1.049	1.049
CHELPG
AIM
ESP

<r²>	23.999
(<r²>)^1/2	4.899