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	hartrees
Energy at 0K	-52.667537
Energy at 298.15K	-52.673447
HF Energy	-52.497145
Nuclear repulsion energy	31.815083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2624	2475
2	A_g	2164	2041
3	A_g	1208	1139
4	A_g	802	757
5	A_u	867	817
6	B_1g	2715	2560
7	B_1g	913	861
8	B_1u	1928	1818
9	B_1u	971	916
10	B_2g	1867	1761
11	B_2g	794	749
12	B_2u	2724	2569
13	B_2u	1013	955
14	B_2u	405	382
15	B_3g	1085	1024
16	B_3u	2613	2464
17	B_3u	1760	1660
18	B_3u	1208	1140

Atom	x (Å)	y (Å)	z (Å)
B1	0.892	0.000	0.000
B2	-0.892	0.000	0.000
H3	0.000	0.000	0.978
H4	0.000	0.000	-0.978
H5	1.472	1.050	0.000
H6	1.472	-1.050	0.000
H7	-1.472	1.050	0.000
H8	-1.472	-1.050	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7839	1.3239	1.3239	1.1992	1.1992	2.5865	2.5865
B2	1.7839		1.3239	1.3239	2.5865	2.5865	1.1992	1.1992
H3	1.3239	1.3239		1.9566	2.0556	2.0556	2.0556	2.0556
H4	1.3239	1.3239	1.9566		2.0556	2.0556	2.0556	2.0556
H5	1.1992	2.5865	2.0556	2.0556		2.0993	2.9439	3.6158
H6	1.1992	2.5865	2.0556	2.0556	2.0993		3.6158	2.9439
H7	2.5865	1.1992	2.0556	2.0556	2.9439	3.6158		2.0993
H8	2.5865	1.1992	2.0556	2.0556	3.6158	2.9439	2.0993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.715	B1	H4	B2	84.715
H3	B1	H4	95.285	H3	B1	H5	109.017
H3	B1	H6	109.017	H3	B2	H4	95.285
H3	B2	H7	109.017	H3	B2	H8	109.017
H4	B1	H5	109.017	H4	B1	H6	109.017
H4	B2	H7	109.017	H4	B2	H8	109.017
H5	B1	H6	122.155	H7	B2	H8	122.155

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCSD(T)/3-21G*

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)/3-21G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)