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	hartrees
Energy at 0K	-51.715968
Energy at 298.15K	-51.717983
HF Energy	-51.563126
Nuclear repulsion energy	24.462321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2816	2702	0.22
2	A₁	2028	1946	27.97
3	A₁	1342	1288	4.94
4	A₁	1138	1092	9.49
5	A₁	676	648	1.70
6	A₂	1230	1180	0.00
7	A₂	276	264	0.00
8	B₁	2008	1926	81.56
9	B₁	757	727	0.66
10	B₂	2775	2662	41.49
11	B₂	1285	1233	199.04
12	B₂	112	108	60.80

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.743	-0.116
B2	0.000	-0.743	-0.116
H3	0.931	0.000	0.563
H4	-0.931	0.000	0.563
H5	0.000	1.919	0.018
H6	0.000	-1.919	0.018

	B1	B2	H3	H4	H5	H6
B1		1.4853	1.3714	1.3714	1.1840	2.6651
B2	1.4853		1.3714	1.3714	2.6651	1.1840
H3	1.3714	1.3714		1.8625	2.2017	2.2017
H4	1.3714	1.3714	1.8625		2.2017	2.2017
H5	1.1840	2.6651	2.2017	2.2017		3.8381
H6	2.6651	1.1840	2.2017	2.2017	3.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.213	B1	B2	H4	57.213
B1	B2	H6	173.491	B1	H3	B2	65.575
B1	H4	B2	65.575	B2	B1	H3	57.213
B2	B1	H4	57.213	B2	B1	H5	173.491
H3	B1	H4	85.537	H3	B1	H5	118.806
H3	B2	H4	85.537	H3	B2	H6	118.806
H4	B1	H5	118.806	H4	B2	H6	118.806

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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