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	hartrees
Energy at 0K	-51.839710
Energy at 298.15K	-51.842419
HF Energy	-51.607200
Nuclear repulsion energy	24.833899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2881	2732
2	A₁	2184	2071
3	A₁	1372	1301
4	A₁	1154	1094
5	A₁	718	681
6	A₂	1373	1302
7	A₂	541	513
8	B₁	2188	2075
9	B₁	796	755
10	B₂	2840	2694
11	B₂	1440	1365
12	B₂	400	380

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.736	-0.117
B2	0.000	-0.736	-0.117
H3	0.900	0.000	0.547
H4	-0.900	0.000	0.547
H5	0.000	1.898	0.038
H6	0.000	-1.898	0.038

	B1	B2	H3	H4	H5	H6
B1		1.4712	1.3382	1.3382	1.1724	2.6379
B2	1.4712		1.3382	1.3382	2.6379	1.1724
H3	1.3382	1.3382		1.7992	2.1610	2.1610
H4	1.3382	1.3382	1.7992		2.1610	2.1610
H5	1.1724	2.6379	2.1610	2.1610		3.7955
H6	2.6379	1.1724	2.1610	2.1610	3.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.653	B1	B2	H4	56.653
B1	B2	H6	172.431	B1	H3	B2	66.695
B1	H4	B2	66.695	B2	B1	H3	56.653
B2	B1	H4	56.653	B2	B1	H5	172.431
H3	B1	H4	84.479	H3	B1	H5	118.659
H3	B2	H4	84.479	H3	B2	H6	118.659
H4	B1	H5	118.659	H4	B2	H6	118.659

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

using model chemistry: CCSD(T)/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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