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	hartrees
Energy at 0K	-51.866071
Energy at 298.15K	-51.868877
HF Energy	-51.622830
Nuclear repulsion energy	24.762877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2849	2742
2	A₁	2129	2049
3	A₁	1352	1301
4	A₁	1121	1079
5	A₁	721	694
6	A₂	1342	1292
7	A₂	597	574
8	B₁	2134	2054
9	B₁	791	762
10	B₂	2808	2703
11	B₂	1405	1352
12	B₂	465	448

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.736	-0.116
B2	0.000	-0.736	-0.116
H3	0.906	0.000	0.556
H4	-0.906	0.000	0.556
H5	0.000	1.902	0.023
H6	0.000	-1.902	0.023

	B1	B2	H3	H4	H5	H6
B1		1.4721	1.3464	1.3464	1.1743	2.6417
B2	1.4721		1.3464	1.3464	2.6417	1.1743
H3	1.3464	1.3464		1.8114	2.1728	2.1728
H4	1.3464	1.3464	1.8114		2.1728	2.1728
H5	1.1743	2.6417	2.1728	2.1728		3.8040
H6	2.6417	1.1743	2.1728	2.1728	3.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	56.862	B1	B2	H4	56.862
B1	B2	H6	173.189	B1	H3	B2	66.275
B1	H4	B2	66.275	B2	B1	H3	56.862
B2	B1	H4	56.862	B2	B1	H5	173.189
H3	B1	H4	84.546	H3	B1	H5	118.924
H3	B2	H4	84.546	H3	B2	H6	118.924
H4	B1	H5	118.924	H4	B2	H6	118.924

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

using model chemistry: CCSD(T)/TZVP

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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