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	hartrees
Energy at 0K	-53.113463
Energy at 298.15K	-53.119399
HF Energy	-52.824339
Nuclear repulsion energy	32.081242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2668	2668
2	A_g	2203	2203
3	A_g	1220	1220
4	A_g	822	822
5	A_u	861	861
6	B_1g	2752	2752
7	B_1g	950	950
8	B_1u	2031	2031
9	B_1u	1011	1011
10	B_2g	1900	1900
11	B_2g	908	908
12	B_2u	2764	2764
13	B_2u	996	996
14	B_2u	372	372
15	B_3g	1080	1080
16	B_3u	2655	2655
17	B_3u	1765	1765
18	B_3u	1208	1208

Atom	x (Å)	y (Å)	z (Å)
B1	0.883	0.000	0.000
B2	-0.883	0.000	0.000
H3	0.000	0.000	0.976
H4	0.000	0.000	-0.976
H5	1.457	1.041	0.000
H6	1.457	-1.041	0.000
H7	-1.457	1.041	0.000
H8	-1.457	-1.041	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7665	1.3164	1.3164	1.1883	1.1883	2.5611	2.5611
B2	1.7665		1.3164	1.3164	2.5611	2.5611	1.1883	1.1883
H3	1.3164	1.3164		1.9521	2.0391	2.0391	2.0391	2.0391
H4	1.3164	1.3164	1.9521		2.0391	2.0391	2.0391	2.0391
H5	1.1883	2.5611	2.0391	2.0391		2.0813	2.9137	3.5807
H6	1.1883	2.5611	2.0391	2.0391	2.0813		3.5807	2.9137
H7	2.5611	1.1883	2.0391	2.0391	2.9137	3.5807		2.0813
H8	2.5611	1.1883	2.0391	2.0391	3.5807	2.9137	2.0813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.287	B1	H4	B2	84.287
H3	B1	H4	95.713	H3	B1	H5	108.898
H3	B1	H6	108.898	H3	B2	H4	95.713
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	122.276	H7	B2	H8	122.276

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCSD(T)/6-31G(2df,p)

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)/6-31G(2df,p)

States and conformations

All results from a given calculation for B₂H₆ (Diborane)