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	hartrees
Energy at 0K	-52.001136
Energy at 298.15K	-52.004058
HF Energy	-52.001136
Nuclear repulsion energy	24.818232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2884	2746	0.04
2	A₁	2164	2061	26.41
3	A₁	1365	1300	2.86
4	A₁	1115	1061	1.35
5	A₁	732	697	3.72
6	A₂	1349	1285	0.00
7	A₂	699	665	0.00
8	B₁	2172	2068	59.95
9	B₁	808	770	2.27
10	B₂	2845	2709	45.84
11	B₂	1401	1334	223.29
12	B₂	546	519	35.99

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.734	-0.116
B2	0.000	-0.734	-0.116
H3	0.896	0.000	0.562
H4	-0.896	0.000	0.562
H5	0.000	1.901	0.018
H6	0.000	-1.901	0.018

	B1	B2	H3	H4	H5	H6
B1		1.4682	1.3422	1.3422	1.1742	2.6381
B2	1.4682		1.3422	1.3422	2.6381	1.1742
H3	1.3422	1.3422		1.7924	2.1707	2.1707
H4	1.3422	1.3422	1.7924		2.1707	2.1707
H5	1.1742	2.6381	2.1707	2.1707		3.8013
H6	2.6381	1.1742	2.1707	2.1707	3.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.842	B1	B2	H4	56.842
B1	B2	H6	173.473	B1	H3	B2	66.315
B1	H4	B2	66.315	B2	B1	H3	56.842
B2	B1	H4	56.842	B2	B1	H5	173.473
H3	B1	H4	83.784	H3	B1	H5	119.078
H3	B2	H4	83.784	H3	B2	H6	119.078
H4	B1	H5	119.078	H4	B2	H6	119.078

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

using model chemistry: M06-2X/6-31+G**

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	-0.082
2	B	-0.082
3	H	0.052
4	H	0.052
5	H	0.030
6	H	0.030

	x	y	z	Total
	0.000	0.000	0.990	0.990
CHELPG
AIM
ESP

<r²>	24.372
(<r²>)^1/2	4.937