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	hartrees
Energy at 0K	-51.808583
Energy at 298.15K	-51.811478
HF Energy	-51.609080
Nuclear repulsion energy	24.511701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2851	2734	0.16
2	A₁	2128	2040	18.49
3	A₁	1343	1288	2.89
4	A₁	1104	1059	2.29
5	A₁	727	697	4.20
6	A₂	1347	1292	0.00
7	A₂	669	641	0.00
8	B₁	2135	2048	44.47
9	B₁	800	768	2.05
10	B₂	2811	2695	35.71
11	B₂	1396	1339	229.51
12	B₂	522	501	27.54

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.745	-0.116
B2	0.000	-0.745	-0.116
H3	0.905	0.000	0.571
H4	-0.905	0.000	0.571
H5	0.000	1.921	0.011
H6	0.000	-1.921	0.011

	B1	B2	H3	H4	H5	H6
B1		1.4907	1.3592	1.3592	1.1827	2.6696
B2	1.4907		1.3592	1.3592	2.6696	1.1827
H3	1.3592	1.3592		1.8097	2.1964	2.1964
H4	1.3592	1.3592	1.8097		2.1964	2.1964
H5	1.1827	2.6696	2.1964	2.1964		3.8424
H6	2.6696	1.1827	2.1964	2.1964	3.8424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.745	B1	B2	H4	56.745
B1	B2	H6	173.823	B1	H3	B2	66.509
B1	H4	B2	66.509	B2	B1	H3	56.745
B2	B1	H4	56.745	B2	B1	H5	173.823
H3	B1	H4	83.475	H3	B1	H5	119.388
H3	B2	H4	83.475	H3	B2	H6	119.388
H4	B1	H5	119.388	H4	B2	H6	119.388

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

using model chemistry: MP2/aug-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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