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	hartrees
Energy at 0K	-51.798938
Energy at 298.15K	-51.801711
HF Energy	-51.601829
Nuclear repulsion energy	24.826694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2871	2718	0.38
2	A₁	2186	2069	18.12
3	A₁	1403	1328	2.94
4	A₁	1182	1119	1.65
5	A₁	719	681	0.95
6	A₂	1366	1293	0.00
7	A₂	577	546	0.00
8	B₁	2192	2074	60.64
9	B₁	794	752	1.81
10	B₂	2830	2679	37.83
11	B₂	1430	1353	201.64
12	B₂	449	425	23.93

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.116
B2	0.000	-0.731	-0.116
H3	0.907	0.000	0.554
H4	-0.907	0.000	0.554
H5	0.000	1.902	0.026
H6	0.000	-1.902	0.026

	B1	B2	H3	H4	H5	H6
B1		1.4611	1.3440	1.3440	1.1799	2.6363
B2	1.4611		1.3440	1.3440	2.6363	1.1799
H3	1.3440	1.3440		1.8145	2.1725	2.1725
H4	1.3440	1.3440	1.8145		2.1725	2.1725
H5	1.1799	2.6363	2.1725	2.1725		3.8038
H6	2.6363	1.1799	2.1725	2.1725	3.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.072	B1	B2	H4	57.072
B1	B2	H6	173.104	B1	H3	B2	65.856
B1	H4	B2	65.856	B2	B1	H3	57.072
B2	B1	H4	57.072	B2	B1	H5	173.104
H3	B1	H4	84.917	H3	B1	H5	118.670
H3	B2	H4	84.917	H3	B2	H6	118.670
H4	B1	H5	118.670	H4	B2	H6	118.670

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

using model chemistry: CCD/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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