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	hartrees
Energy at 0K	-51.689063
Energy at 298.15K	-51.691933
HF Energy	-51.689063
Nuclear repulsion energy	24.779114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2759	2714	0.01
2	A₁	2090	2056	8.93
3	A₁	1351	1329	2.13
4	A₁	1105	1087	0.30
5	A₁	688	677	4.60
6	A₂	1258	1237	0.00
7	A₂	686	674	0.00
8	B₁	2097	2063	23.51
9	B₁	755	743	1.35
10	B₂	2715	2671	18.21
11	B₂	1293	1272	148.05
12	B₂	554	545	25.16

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.729	-0.121
B2	0.000	-0.729	-0.121
H3	0.901	0.000	0.579
H4	-0.901	0.000	0.579
H5	0.000	1.903	0.025
H6	0.000	-1.903	0.025

	B1	B2	H3	H4	H5	H6
B1		1.4575	1.3535	1.3535	1.1837	2.6362
B2	1.4575		1.3535	1.3535	2.6362	1.1837
H3	1.3535	1.3535		1.8011	2.1774	2.1774
H4	1.3535	1.3535	1.8011		2.1774	2.1774
H5	1.1837	2.6362	2.1774	2.1774		3.8069
H6	2.6362	1.1837	2.1774	2.1774	3.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.422	B1	B2	H4	57.422
B1	B2	H6	172.924	B1	H3	B2	65.156
B1	H4	B2	65.156	B2	B1	H3	57.422
B2	B1	H4	57.422	B2	B1	H5	172.924
H3	B1	H4	83.420	H3	B1	H5	118.076
H3	B2	H4	83.420	H3	B2	H6	118.076
H4	B1	H5	118.076	H4	B2	H6	118.076

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	B	-0.311
2	B	-0.311
3	H	0.247
4	H	0.247
5	H	0.064
6	H	0.064

	x	y	z	Total
	0.000	0.000	1.124	1.124
CHELPG
AIM
ESP

<r²>	24.409
(<r²>)^1/2	4.941