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	hartrees
Energy at 0K	-51.956143
Energy at 298.15K	-51.959014
HF Energy	-51.887876
Nuclear repulsion energy	24.864876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2885	2885	0.21
2	A₁	2149	2149	23.28
3	A₁	1384	1384	3.04
4	A₁	1157	1157	3.30
5	A₁	742	742	0.42
6	A₂	1305	1305	0.00
7	A₂	631	631	0.00
8	B₁	2157	2157	74.17
9	B₁	814	814	3.23
10	B₂	2846	2846	36.90
11	B₂	1387	1387	200.00
12	B₂	513	513	35.15

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.116
B2	0.000	-0.731	-0.116
H3	0.898	0.000	0.566
H4	-0.898	0.000	0.566
H5	0.000	1.895	0.013
H6	0.000	-1.895	0.013

	B1	B2	H3	H4	H5	H6
B1		1.4624	1.3437	1.3437	1.1710	2.6294
B2	1.4624		1.3437	1.3437	2.6294	1.1710
H3	1.3437	1.3437		1.7962	2.1686	2.1686
H4	1.3437	1.3437	1.7962		2.1686	2.1686
H5	1.1710	2.6294	2.1686	2.1686		3.7901
H6	2.6294	1.1710	2.1686	2.1686	3.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.031	B1	B2	H4	57.031
B1	B2	H6	173.679	B1	H3	B2	65.939
B1	H4	B2	65.939	B2	B1	H3	57.031
B2	B1	H4	57.031	B2	B1	H5	173.679
H3	B1	H4	83.886	H3	B1	H5	119.016
H3	B2	H4	83.886	H3	B2	H6	119.016
H4	B1	H5	119.016	H4	B2	H6	119.016

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

using model chemistry: B2PLYP=FULL/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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