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	hartrees
Energy at 0K	-51.676074
Energy at 298.15K	-51.678931
HF Energy	-51.676074
Nuclear repulsion energy	24.496526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2773	2742	0.02
2	A₁	2088	2065	9.06
3	A₁	1347	1332	1.53
4	A₁	1060	1048	0.30
5	A₁	687	679	4.77
6	A₂	1256	1242	0.00
7	A₂	681	673	0.00
8	B₁	2108	2085	24.92
9	B₁	753	745	0.67
10	B₂	2728	2698	13.85
11	B₂	1293	1279	143.18
12	B₂	539	533	24.91

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.739	-0.121
B2	0.000	-0.739	-0.121
H3	0.907	0.000	0.586
H4	-0.907	0.000	0.586
H5	0.000	1.925	0.020
H6	0.000	-1.925	0.020

	B1	B2	H3	H4	H5	H6
B1		1.4778	1.3671	1.3671	1.1948	2.6680
B2	1.4778		1.3671	1.3671	2.6680	1.1948
H3	1.3671	1.3671		1.8144	2.2023	2.2023
H4	1.3671	1.3671	1.8144		2.2023	2.2023
H5	1.1948	2.6680	2.2023	2.2023		3.8506
H6	2.6680	1.1948	2.2023	2.2023	3.8506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.284	B1	B2	H4	57.284
B1	B2	H6	173.210	B1	H3	B2	65.433
B1	H4	B2	65.433	B2	B1	H3	57.284
B2	B1	H4	57.284	B2	B1	H5	173.210
H3	B1	H4	83.149	H3	B1	H5	118.395
H3	B2	H4	83.149	H3	B2	H6	118.395
H4	B1	H5	118.395	H4	B2	H6	118.395

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

using model chemistry: LSDA/cc-pVDZ

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	-0.245
2	B	-0.245
3	H	0.157
4	H	0.157
5	H	0.088
6	H	0.088

	x	y	z	Total
	0.000	0.000	1.109	1.109
CHELPG
AIM
ESP

<r²>	24.622
(<r²>)^1/2	4.962