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	hartrees
Energy at 0K	-51.681909
Energy at 298.15K	-51.684708
HF Energy	-51.681909
Nuclear repulsion energy	24.694199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2905	2774	0.12
2	A₁	2055	1963	22.41
3	A₁	1376	1314	3.79
4	A₁	1135	1084	13.18
5	A₁	722	690	1.37
6	A₂	1234	1178	0.00
7	A₂	669	639	0.00
8	B₁	2040	1948	74.58
9	B₁	832	794	0.92
10	B₂	2859	2730	31.93
11	B₂	1269	1212	181.63
12	B₂	426	407	80.83

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.733	-0.113
B2	0.000	-0.733	-0.113
H3	0.914	0.000	0.585
H4	-0.914	0.000	0.585
H5	0.000	1.901	-0.018
H6	0.000	-1.901	-0.018

	B1	B2	H3	H4	H5	H6
B1		1.4668	1.3644	1.3644	1.1714	2.6361
B2	1.4668		1.3644	1.3644	2.6361	1.1714
H3	1.3644	1.3644		1.8283	2.1937	2.1937
H4	1.3644	1.3644	1.8283		2.1937	2.1937
H5	1.1714	2.6361	2.1937	2.1937		3.8018
H6	2.6361	1.1714	2.1937	2.1937	3.8018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.485	B1	B2	H4	57.485
B1	B2	H6	175.308	B1	H3	B2	65.031
B1	H4	B2	65.031	B2	B1	H3	57.485
B2	B1	H4	57.485	B2	B1	H5	175.308
H3	B1	H4	84.131	H3	B1	H5	119.594
H3	B2	H4	84.131	H3	B2	H6	119.594
H4	B1	H5	119.594	H4	B2	H6	119.594

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

using model chemistry: B1B95/3-21G*

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	-0.104
2	B	-0.104
3	H	0.083
4	H	0.083
5	H	0.021
6	H	0.021

	x	y	z	Total
	0.000	0.000	1.182	1.182
CHELPG
AIM
ESP

<r²>	24.524
(<r²>)^1/2	4.952