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	hartrees
Energy at 0K	-51.882474
Energy at 298.15K	-51.877997
HF Energy	-51.602294
Nuclear repulsion energy	24.843021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2965	2794	0.86
2	A₁	2188	2061	52.57
3	A₁	1439	1356	8.32
4	A₁	1280	1206	19.39
5	A₁	799	753	0.42
6	A₂	1284	1210	0.00
7	A₂	565	533	0.00
8	B₁	2183	2056	140.52
9	B₁	862	812	2.56
10	B₂	2925	2756	73.87
11	B₂	1419	1337	305.55
12	B₂	574	540	78.96

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.729	-0.114
B2	0.000	-0.729	-0.114
H3	0.904	0.000	0.549
H4	-0.904	0.000	0.549
H5	0.000	1.897	0.023
H6	0.000	-1.897	0.023

	B1	B2	H3	H4	H5	H6
B1		1.4588	1.3373	1.3373	1.1759	2.6302
B2	1.4588		1.3373	1.3373	2.6302	1.1759
H3	1.3373	1.3373		1.8075	2.1663	2.1663
H4	1.3373	1.3373	1.8075		2.1663	2.1663
H5	1.1759	2.6302	2.1663	2.1663		3.7945
H6	2.6302	1.1759	2.1663	2.1663	3.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.460	B1	B2	H4	57.460
B1	B2	H6	174.730	B1	H3	B2	65.080
B1	H4	B2	65.080	B2	B1	H3	57.460
B2	B1	H4	57.460	B2	B1	H5	174.730
H3	B1	H4	83.707	H3	B1	H5	119.228
H3	B2	H4	83.707	H3	B2	H6	119.228
H4	B1	H5	119.228	H4	B2	H6	119.228

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

using model chemistry: G2

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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