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	hartrees
Energy at 0K	-53.095401
Energy at 298.15K	-53.101339
HF Energy	-52.827874
Nuclear repulsion energy	31.998770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2637	2519	0.00
2	A_g	2190	2092	0.00
3	A_g	1225	1170	0.00
4	A_g	818	781	0.00
5	A_u	861	823	0.00
6	B_1g	2717	2595	0.00
7	B_1g	951	908	0.00
8	B_1u	2010	1920	12.98
9	B_1u	1011	965	19.30
10	B_2g	1900	1815	0.00
11	B_2g	897	856	0.00
12	B_2u	2730	2608	177.44
13	B_2u	1002	957	2.18
14	B_2u	367	351	14.63
15	B_3g	1099	1050	0.00
16	B_3u	2622	2504	143.79
17	B_3u	1759	1680	545.17
18	B_3u	1211	1156	92.71

Atom	x (Å)	y (Å)	z (Å)
B1	0.887	0.000	0.000
B2	-0.887	0.000	0.000
H3	0.000	0.000	0.977
H4	0.000	0.000	-0.977
H5	1.461	1.042	0.000
H6	1.461	-1.042	0.000
H7	-1.461	1.042	0.000
H8	-1.461	-1.042	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7741	1.3194	1.3194	1.1900	1.1900	2.5691	2.5691
B2	1.7741		1.3194	1.3194	2.5691	2.5691	1.1900	1.1900
H3	1.3194	1.3194		1.9535	2.0434	2.0434	2.0434	2.0434
H4	1.3194	1.3194	1.9535		2.0434	2.0434	2.0434	2.0434
H5	1.1900	2.5691	2.0434	2.0434		2.0849	2.9221	3.5896
H6	1.1900	2.5691	2.0434	2.0434	2.0849		3.5896	2.9221
H7	2.5691	1.1900	2.0434	2.0434	2.9221	3.5896		2.0849
H8	2.5691	1.1900	2.0434	2.0434	3.5896	2.9221	2.0849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.491	B1	H4	B2	84.491
H3	B1	H4	95.509	H3	B1	H5	108.921
H3	B1	H6	108.921	H3	B2	H4	95.509
H3	B2	H7	108.921	H3	B2	H8	108.921
H4	B1	H5	108.921	H4	B1	H6	108.921
H4	B2	H7	108.921	H4	B2	H8	108.921
H5	B1	H6	122.325	H7	B2	H8	122.325

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

All results from a given calculation for B₂H₆ (Diborane)