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	hartrees
Energy at 0K	-53.097120
Energy at 298.15K	-53.103049
HF Energy	-52.827874
Nuclear repulsion energy	31.977813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2630	2509	0.00
2	A_g	2187	2087	0.00
3	A_g	1221	1165	0.00
4	A_g	813	776	0.00
5	A_u	859	819	0.00
6	B_1g	2708	2584	0.00
7	B_1g	948	905	0.00
8	B_1u	2003	1911	13.49
9	B_1u	1008	962	19.17
10	B_2g	1890	1803	0.00
11	B_2g	890	850	0.00
12	B_2u	2721	2597	179.56
13	B_2u	999	954	2.15
14	B_2u	365	348	14.54
15	B_3g	1093	1043	0.00
16	B_3u	2614	2494	143.12
17	B_3u	1754	1674	534.06
18	B_3u	1207	1152	93.80

Atom	x (Å)	y (Å)	z (Å)
B1	0.888	0.000	0.000
B2	-0.888	0.000	0.000
H3	0.000	0.000	0.977
H4	0.000	0.000	-0.977
H5	1.462	1.043	0.000
H6	1.462	-1.043	0.000
H7	-1.462	1.043	0.000
H8	-1.462	-1.043	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7762	1.3200	1.3200	1.1905	1.1905	2.5712	2.5712
B2	1.7762		1.3200	1.3200	2.5712	2.5712	1.1905	1.1905
H3	1.3200	1.3200		1.9531	2.0443	2.0443	2.0443	2.0443
H4	1.3200	1.3200	1.9531		2.0443	2.0443	2.0443	2.0443
H5	1.1905	2.5712	2.0443	2.0443		2.0860	2.9242	3.5920
H6	1.1905	2.5712	2.0443	2.0443	2.0860		3.5920	2.9242
H7	2.5712	1.1905	2.0443	2.0443	2.9242	3.5920		2.0860
H8	2.5712	1.1905	2.0443	2.0443	3.5920	2.9242	2.0860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.567	B1	H4	B2	84.567
H3	B1	H4	95.433	H3	B1	H5	108.929
H3	B1	H6	108.929	H3	B2	H4	95.433
H3	B2	H7	108.929	H3	B2	H8	108.929
H4	B1	H5	108.929	H4	B1	H6	108.929
H4	B2	H7	108.929	H4	B2	H8	108.929
H5	B1	H6	122.346	H7	B2	H8	122.346

All results from a given calculation for B₂H₆ (Diborane)

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

States and conformations

All results from a given calculation for B₂H₆ (Diborane)