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	hartrees
Energy at 0K	-51.706910
Energy at 298.15K	-51.708988
HF Energy	-51.563533
Nuclear repulsion energy	24.514733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2851	2666	0.22
2	A₁	2041	1909	31.76
3	A₁	1359	1271	5.63
4	A₁	1156	1081	12.18
5	A₁	691	647	1.85
6	A₂	1220	1141	0.00
7	A₂	272	255	0.00
8	B₁	2021	1891	89.08
9	B₁	772	722	0.58
10	B₂	2808	2626	43.62
11	B₂	1287	1204	214.97
12	B₂	142	133	70.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.740	-0.115
B2	0.000	-0.740	-0.115
H3	0.929	0.000	0.569
H4	-0.929	0.000	0.569
H5	0.000	1.914	0.007
H6	0.000	-1.914	0.007

	B1	B2	H3	H4	H5	H6
B1		1.4809	1.3706	1.3706	1.1802	2.6577
B2	1.4809		1.3706	1.3706	2.6577	1.1802
H3	1.3706	1.3706		1.8577	2.2008	2.2008
H4	1.3706	1.3706	1.8577		2.2008	2.2008
H5	1.1802	2.6577	2.2008	2.2008		3.8288
H6	2.6577	1.1802	2.2008	2.2008	3.8288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.300	B1	B2	H4	57.300
B1	B2	H6	174.084	B1	H3	B2	65.401
B1	H4	B2	65.401	B2	B1	H3	57.300
B2	B1	H4	57.300	B2	B1	H5	174.084
H3	B1	H4	85.330	H3	B1	H5	119.075
H3	B2	H4	85.330	H3	B2	H6	119.075
H4	B1	H5	119.075	H4	B2	H6	119.075

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

using model chemistry: CID/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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