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	hartrees
Energy at 0K	-51.990945
Energy at 298.15K	-51.993857
HF Energy	-51.990945
Nuclear repulsion energy	24.585859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2837	2727	0.03
2	A₁	2125	2043	19.41
3	A₁	1363	1310	2.08
4	A₁	1112	1069	2.79
5	A₁	728	700	2.73
6	A₂	1297	1247	0.00
7	A₂	680	654	0.00
8	B₁	2142	2059	48.75
9	B₁	791	761	1.57
10	B₂	2794	2685	35.68
11	B₂	1352	1299	191.27
12	B₂	553	532	32.19

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.739	-0.119
B2	0.000	-0.739	-0.119
H3	0.901	0.000	0.586
H4	-0.901	0.000	0.586
H5	0.000	1.914	0.011
H6	0.000	-1.914	0.011

	B1	B2	H3	H4	H5	H6
B1		1.4780	1.3621	1.3621	1.1823	2.6564
B2	1.4780		1.3621	1.3621	2.6564	1.1823
H3	1.3621	1.3621		1.8022	2.1925	2.1925
H4	1.3621	1.3621	1.8022		2.1925	2.1925
H5	1.1823	2.6564	2.1925	2.1925		3.8284
H6	2.6564	1.1823	2.1925	2.1925	3.8284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.142	B1	B2	H4	57.142
B1	B2	H6	173.697	B1	H3	B2	65.716
B1	H4	B2	65.716	B2	B1	H3	57.142
B2	B1	H4	57.142	B2	B1	H5	173.697
H3	B1	H4	82.836	H3	B1	H5	118.845
H3	B2	H4	82.836	H3	B2	H6	118.845
H4	B1	H5	118.845	H4	B2	H6	118.845

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

using model chemistry: B1B95/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	-0.153
2	B	-0.153
3	H	0.110
4	H	0.110
5	H	0.043
6	H	0.043

	x	y	z	Total
	0.000	0.000	0.984	0.984
CHELPG
AIM
ESP

<r²>	24.447
(<r²>)^1/2	4.944