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	hartrees
Energy at 0K	-53.103986
Energy at 298.15K	-53.109893
HF Energy	-52.827851
Nuclear repulsion energy	31.952673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2621	2528
2	A_g	2177	2100
3	A_g	1213	1170
4	A_g	808	780
5	A_u	854	824
6	B_1g	2700	2605
7	B_1g	943	910
8	B_1u	1997	1926
9	B_1u	1001	965
10	B_2g	1885	1818
11	B_2g	883	852
12	B_2u	2714	2618
13	B_2u	985	951
14	B_2u	357	344
15	B_3g	1081	1043
16	B_3u	2606	2514
17	B_3u	1748	1687
18	B_3u	1200	1157

Atom	x (Å)	y (Å)	z (Å)
B1	0.889	0.000	0.000
B2	-0.889	0.000	0.000
H3	0.000	0.000	0.977
H4	0.000	0.000	-0.977
H5	1.462	1.044	0.000
H6	1.462	-1.044	0.000
H7	-1.462	1.044	0.000
H8	-1.462	-1.044	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7780	1.3211	1.3211	1.1915	1.1915	2.5730	2.5730
B2	1.7780		1.3211	1.3211	2.5730	2.5730	1.1915	1.1915
H3	1.3211	1.3211		1.9544	2.0456	2.0456	2.0456	2.0456
H4	1.3211	1.3211	1.9544		2.0456	2.0456	2.0456	2.0456
H5	1.1915	2.5730	2.0456	2.0456		2.0888	2.9249	3.5942
H6	1.1915	2.5730	2.0456	2.0456	2.0888		3.5942	2.9249
H7	2.5730	1.1915	2.0456	2.0456	2.9249	3.5942		2.0888
H8	2.5730	1.1915	2.0456	2.0456	3.5942	2.9249	2.0888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.587	B1	H4	B2	84.587
H3	B1	H4	95.413	H3	B1	H5	108.898
H3	B1	H6	108.898	H3	B2	H4	95.413
H3	B2	H7	108.898	H3	B2	H8	108.898
H4	B1	H5	108.898	H4	B1	H6	108.898
H4	B2	H7	108.898	H4	B2	H8	108.898
H5	B1	H6	122.458	H7	B2	H8	122.458

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCSD(T)/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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All results from a given calculation for B2H6 (Diborane)

using model chemistry: CCSD(T)/6-311G**

States and conformations

All results from a given calculation for B₂H₆ (Diborane)