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	hartrees
Energy at 0K	-7.754578
Energy at 298.15K	-7.757449
HF Energy	-7.598602
Nuclear repulsion energy	13.059451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2890	2744	0.62
2	A₁	2055	1951	50.33
3	A₁	1386	1316	0.02
4	A₁	1164	1105	3.85
5	A₁	744	706	7.39
6	A₂	1345	1277	0.00
7	A₂	645	612	0.00
8	B₁	2112	2005	106.10
9	B₁	818	777	0.14
10	B₂	2845	2701	38.03
11	B₂	1412	1341	255.54
12	B₂	506	480	47.61

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.758	-0.119
B2	0.000	-0.758	-0.119
H3	0.911	0.000	0.559
H4	-0.911	0.000	0.559
H5	0.000	1.927	0.036
H6	0.000	-1.927	0.036

	B1	B2	H3	H4	H5	H6
B1		1.5152	1.3654	1.3654	1.1792	2.6887
B2	1.5152		1.3654	1.3654	2.6887	1.1792
H3	1.3654	1.3654		1.8228	2.1947	2.1947
H4	1.3654	1.3654	1.8228		2.1947	2.1947
H5	1.1792	2.6887	2.1947	2.1947		3.8534
H6	2.6887	1.1792	2.1947	2.1947	3.8534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.298	B1	B2	H4	56.298
B1	B2	H6	172.468	B1	H3	B2	67.404
B1	H4	B2	67.404	B2	B1	H3	56.298
B2	B1	H4	56.298	B2	B1	H5	172.468
H3	B1	H4	83.750	H3	B1	H5	119.013
H3	B2	H4	83.750	H3	B2	H6	119.013
H4	B1	H5	119.013	H4	B2	H6	119.013

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

using model chemistry: MP2/CEP-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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