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	hartrees
Energy at 0K	-51.813555
Energy at 298.15K	-51.816391
HF Energy	-51.607320
Nuclear repulsion energy	24.953764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2926	2734	0.34
2	A₁	2228	2082	16.11
3	A₁	1393	1302	2.41
4	A₁	1164	1088	1.56
5	A₁	738	689	0.26
6	A₂	1421	1327	0.00
7	A₂	615	575	0.00
8	B₁	2242	2095	58.08
9	B₁	815	761	4.30
10	B₂	2883	2694	35.35
11	B₂	1467	1371	214.05
12	B₂	468	437	25.45

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.731	-0.114
B2	0.000	-0.731	-0.114
H3	0.896	0.000	0.546
H4	-0.896	0.000	0.546
H5	0.000	1.892	0.024
H6	0.000	-1.892	0.024

	B1	B2	H3	H4	H5	H6
B1		1.4622	1.3314	1.3314	1.1691	2.6268
B2	1.4622		1.3314	1.3314	2.6268	1.1691
H3	1.3314	1.3314		1.7915	2.1574	2.1574
H4	1.3314	1.3314	1.7915		2.1574	2.1574
H5	1.1691	2.6268	2.1574	2.1574		3.7840
H6	2.6268	1.1691	2.1574	2.1574	3.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.692	B1	B2	H4	56.692
B1	B2	H6	173.204	B1	H3	B2	66.615
B1	H4	B2	66.615	B2	B1	H3	56.692
B2	B1	H4	56.692	B2	B1	H5	173.204
H3	B1	H4	84.565	H3	B1	H5	119.118
H3	B2	H4	84.565	H3	B2	H6	119.118
H4	B1	H5	119.118	H4	B2	H6	119.118

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

using model chemistry: MP2=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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