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	hartrees
Energy at 0K	-51.708074
Energy at 298.15K	-51.710047
HF Energy	-51.563489
Nuclear repulsion energy	24.494767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2845	2668	0.23
2	A₁	2033	1906	33.44
3	A₁	1352	1267	5.74
4	A₁	1154	1083	12.92
5	A₁	691	648	1.82
6	A₂	1206	1131	0.00
7	A₂	240	225	0.00
8	B₁	2010	1885	93.50
9	B₁	772	724	0.56
10	B₂	2803	2628	44.38
11	B₂	1277	1197	210.17
12	B₂	108	101	71.09

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.741	-0.115
B2	0.000	-0.741	-0.115
H3	0.929	0.000	0.569
H4	-0.929	0.000	0.569
H5	0.000	1.915	0.007
H6	0.000	-1.915	0.007

	B1	B2	H3	H4	H5	H6
B1		1.4828	1.3717	1.3717	1.1804	2.6596
B2	1.4828		1.3717	1.3717	2.6596	1.1804
H3	1.3717	1.3717		1.8581	2.2017	2.2017
H4	1.3717	1.3717	1.8581		2.2017	2.2017
H5	1.1804	2.6596	2.2017	2.2017		3.8308
H6	2.6596	1.1804	2.2017	2.2017	3.8308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	H3	57.284	B1	B2	H4	57.284
B1	B2	H6	174.031	B1	H3	B2	65.432
B1	H4	B2	65.432	B2	B1	H3	57.284
B2	B1	H4	57.284	B2	B1	H5	174.031
H3	B1	H4	85.266	H3	B1	H5	119.054
H3	B2	H4	85.266	H3	B2	H6	119.054
H4	B1	H5	119.054	H4	B2	H6	119.054

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

using model chemistry: CISD/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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