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	hartrees
Energy at 0K	-51.988001
Energy at 298.15K	-51.990914
HF Energy	-51.988001
Nuclear repulsion energy	24.814861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2866	2721	0.14
2	A₁	2169	2059	22.31
3	A₁	1379	1309	2.99
4	A₁	1169	1110	2.71
5	A₁	734	697	0.45
6	A₂	1327	1259	0.00
7	A₂	688	653	0.00
8	B₁	2176	2066	69.13
9	B₁	805	765	2.92
10	B₂	2827	2684	42.72
11	B₂	1383	1313	197.53
12	B₂	548	520	31.95

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.119
B2	0.000	-0.731	-0.119
H3	0.897	0.000	0.571
H4	-0.897	0.000	0.571
H5	0.000	1.899	0.025
H6	0.000	-1.899	0.025

	B1	B2	H3	H4	H5	H6
B1		1.4630	1.3472	1.3472	1.1765	2.6346
B2	1.4630		1.3472	1.3472	2.6346	1.1765
H3	1.3472	1.3472		1.7937	2.1701	2.1701
H4	1.3472	1.3472	1.7937		2.1701	2.1701
H5	1.1765	2.6346	2.1701	2.1701		3.7984
H6	2.6346	1.1765	2.1701	2.1701	3.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.115	B1	B2	H4	57.115
B1	B2	H6	172.984	B1	H3	B2	65.771
B1	H4	B2	65.771	B2	B1	H3	57.115
B2	B1	H4	57.115	B2	B1	H5	172.984
H3	B1	H4	83.473	H3	B1	H5	118.448
H3	B2	H4	83.473	H3	B2	H6	118.448
H4	B1	H5	118.448	H4	B2	H6	118.448

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

using model chemistry: B1B95/6-31G*

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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Number	Element	Mulliken
1	B	-0.159
2	B	-0.159
3	H	0.097
4	H	0.097
5	H	0.062
6	H	0.062

	x	y	z	Total
	0.000	0.000	1.048	1.048
CHELPG
AIM
ESP

<r²>	23.992
(<r²>)^1/2	4.898