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	hartrees
Energy at 0K	-51.806154
Energy at 298.15K	-51.809030
HF Energy	-51.611320
Nuclear repulsion energy	24.747463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2853	2650	0.15
2	A₁	2128	1977	20.14
3	A₁	1382	1284	3.70
4	A₁	1183	1099	3.26
5	A₁	748	695	4.35
6	A₂	1302	1210	0.00
7	A₂	630	586	0.00
8	B₁	2135	1984	49.99
9	B₁	818	760	1.10
10	B₂	2808	2609	36.07
11	B₂	1373	1276	224.79
12	B₂	509	473	36.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.732	-0.116
B2	0.000	-0.732	-0.116
H3	0.907	0.000	0.578
H4	-0.907	0.000	0.578
H5	0.000	1.901	0.004
H6	0.000	-1.901	0.004

	B1	B2	H3	H4	H5	H6
B1		1.4641	1.3568	1.3568	1.1752	2.6359
B2	1.4641		1.3568	1.3568	2.6359	1.1752
H3	1.3568	1.3568		1.8145	2.1833	2.1833
H4	1.3568	1.3568	1.8145		2.1833	2.1833
H5	1.1752	2.6359	2.1833	2.1833		3.8022
H6	2.6359	1.1752	2.1833	2.1833	3.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.348	B1	B2	H4	57.348
B1	B2	H6	174.142	B1	H3	B2	65.305
B1	H4	B2	65.305	B2	B1	H3	57.348
B2	B1	H4	57.348	B2	B1	H5	174.142
H3	B1	H4	83.930	H3	B1	H5	118.980
H3	B2	H4	83.930	H3	B2	H6	118.980
H4	B1	H5	118.980	H4	B2	H6	118.980

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

using model chemistry: CID/6-311G*

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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