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	hartrees
Energy at 0K	-51.854383
Energy at 298.15K	-51.857206
HF Energy	-51.618588
Nuclear repulsion energy	24.704588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2836	2706	0.09
2	A₁	2107	2010	22.14
3	A₁	1353	1291	3.39
4	A₁	1131	1079	4.76
5	A₁	734	701	3.16
6	A₂	1300	1241	0.00
7	A₂	605	577	0.00
8	B₁	2105	2008	56.99
9	B₁	806	769	1.93
10	B₂	2796	2668	36.57
11	B₂	1375	1312	212.86
12	B₂	472	451	32.73

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.737	-0.115
B2	0.000	-0.737	-0.115
H3	0.906	0.000	0.569
H4	-0.906	0.000	0.569
H5	0.000	1.905	0.008
H6	0.000	-1.905	0.008

	B1	B2	H3	H4	H5	H6
B1		1.4731	1.3533	1.3533	1.1754	2.6449
B2	1.4731		1.3533	1.3533	2.6449	1.1754
H3	1.3533	1.3533		1.8123	2.1831	2.1831
H4	1.3533	1.3533	1.8123		2.1831	2.1831
H5	1.1754	2.6449	2.1831	2.1831		3.8109
H6	2.6449	1.1754	2.1831	2.1831	3.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.025	B1	B2	H4	57.025
B1	B2	H6	173.963	B1	H3	B2	65.951
B1	H4	B2	65.951	B2	B1	H3	57.025
B2	B1	H4	57.025	B2	B1	H5	173.963
H3	B1	H4	84.075	H3	B1	H5	119.217
H3	B2	H4	84.075	H3	B2	H6	119.217
H4	B1	H5	119.217	H4	B2	H6	119.217

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

using model chemistry: QCISD/6-311G**

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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