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	hartrees
Energy at 0K	-53.027697
Energy at 298.15K	-53.033617
HF Energy	-52.812092
Nuclear repulsion energy	32.101292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2663	2515
2	A_g	2248	2123
3	A_g	1228	1160
4	A_g	837	790
5	A_u	862	814
6	B_1g	2744	2591
7	B_1g	958	905
8	B_1u	2080	1964	15.80
9	B_1u	1003	947	16.96
10	B_2g	1932	1824
11	B_2g	886	837
12	B_2u	2756	2602	163.42
13	B_2u	1001	945	2.37
14	B_2u	369	349	13.13
15	B_3g	1073	1014
16	B_3u	2649	2501	140.61
17	B_3u	1803	1703	491.38
18	B_3u	1220	1152	68.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.878	0.000	0.000
B2	-0.878	0.000	0.000
H3	0.000	0.000	0.977
H4	0.000	0.000	-0.977
H5	1.460	1.042	0.000
H6	1.460	-1.042	0.000
H7	-1.460	1.042	0.000
H8	-1.460	-1.042	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7554	1.3136	1.3136	1.1939	1.1939	2.5597	2.5597
B2	1.7554		1.3136	1.3136	2.5597	2.5597	1.1939	1.1939
H3	1.3136	1.3136		1.9546	2.0429	2.0429	2.0429	2.0429
H4	1.3136	1.3136	1.9546		2.0429	2.0429	2.0429	2.0429
H5	1.1939	2.5597	2.0429	2.0429		2.0841	2.9206	3.5879
H6	1.1939	2.5597	2.0429	2.0429	2.0841		3.5879	2.9206
H7	2.5597	1.1939	2.0429	2.0429	2.9206	3.5879		2.0841
H8	2.5597	1.1939	2.0429	2.0429	3.5879	2.9206	2.0841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.853	B1	H4	B2	83.853
H3	B1	H4	96.147	H3	B1	H5	109.030
H3	B1	H6	109.030	H3	B2	H4	96.147
H3	B2	H7	109.030	H3	B2	H8	109.030
H4	B1	H5	109.030	H4	B1	H6	109.030
H4	B2	H7	109.030	H4	B2	H8	109.030
H5	B1	H6	121.582	H7	B2	H8	121.582

All results from a given calculation for B₂H₆ (Diborane)

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

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)