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	hartrees
Energy at 0K	-51.833608
Energy at 298.15K	-51.836313
HF Energy	-51.609697
Nuclear repulsion energy	24.874781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2893	2726	0.09
2	A₁	2193	2066	27.84
3	A₁	1389	1309	2.42
4	A₁	1160	1093	1.84
5	A₁	719	677	3.67
6	A₂	1382	1303	0.00
7	A₂	530	499	0.00
8	B₁	2201	2074	61.81
9	B₁	795	749	2.98
10	B₂	2850	2686	48.52
11	B₂	1452	1368	224.25
12	B₂	399	376	25.76

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.733	-0.114
B2	0.000	-0.733	-0.114
H3	0.902	0.000	0.546
H4	-0.902	0.000	0.546
H5	0.000	1.896	0.025
H6	0.000	-1.896	0.025

	B1	B2	H3	H4	H5	H6
B1		1.4667	1.3371	1.3371	1.1712	2.6332
B2	1.4667		1.3371	1.3371	2.6332	1.1712
H3	1.3371	1.3371		1.8040	2.1634	2.1634
H4	1.3371	1.3371	1.8040		2.1634	2.1634
H5	1.1712	2.6332	2.1634	2.1634		3.7924
H6	2.6332	1.1712	2.1634	2.1634	3.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.738	B1	B2	H4	56.738
B1	B2	H6	173.147	B1	H3	B2	66.523
B1	H4	B2	66.523	B2	B1	H3	56.738
B2	B1	H4	56.738	B2	B1	H5	173.147
H3	B1	H4	84.850	H3	B1	H5	119.052
H3	B2	H4	84.850	H3	B2	H6	119.052
H4	B1	H5	119.052	H4	B2	H6	119.052

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

using model chemistry: CCD/6-31+G**

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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