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	hartrees
Energy at 0K	-51.801288
Energy at 298.15K	-51.804038
HF Energy	-51.601795
Nuclear repulsion energy	24.803419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2864	2704	0.38
2	A₁	2177	2056	19.95
3	A₁	1395	1317	3.02
4	A₁	1181	1115	1.82
5	A₁	716	676	0.92
6	A₂	1348	1273	0.00
7	A₂	563	532	0.00
8	B₁	2180	2059	64.73
9	B₁	793	748	1.75
10	B₂	2823	2666	39.05
11	B₂	1420	1341	196.68
12	B₂	436	411	23.74

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.732	-0.116
B2	0.000	-0.732	-0.116
H3	0.908	0.000	0.554
H4	-0.908	0.000	0.554
H5	0.000	1.903	0.027
H6	0.000	-1.903	0.027

	B1	B2	H3	H4	H5	H6
B1		1.4633	1.3450	1.3450	1.1802	2.6387
B2	1.4633		1.3450	1.3450	2.6387	1.1802
H3	1.3450	1.3450		1.8156	2.1735	2.1735
H4	1.3450	1.3450	1.8156		2.1735	2.1735
H5	1.1802	2.6387	2.1735	2.1735		3.8063
H6	2.6387	1.1802	2.1735	2.1735	3.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.043	B1	B2	H4	57.043
B1	B2	H6	173.037	B1	H3	B2	65.913
B1	H4	B2	65.913	B2	B1	H3	57.043
B2	B1	H4	57.043	B2	B1	H5	173.037
H3	B1	H4	84.900	H3	B1	H5	118.656
H3	B2	H4	84.900	H3	B2	H6	118.656
H4	B1	H5	118.656	H4	B2	H6	118.656

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

using model chemistry: CCSD/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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