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	hartrees
Energy at 0K	-53.070639
Energy at 298.15K	-53.076604
HF Energy	-52.819702
Nuclear repulsion energy	32.254010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2723	2534	0.00
2	A_g	2268	2111	0.00
3	A_g	1256	1169	0.00
4	A_g	842	784	0.00
5	A_u	872	811	0.00
6	B_1g	2809	2613	0.00
7	B_1g	971	903	0.00
8	B_1u	2087	1942	22.24
9	B_1u	1019	948	25.21
10	B_2g	1956	1820	0.00
11	B_2g	886	825	0.00
12	B_2u	2820	2624	170.14
13	B_2u	1019	948	3.89
14	B_2u	381	355	13.39
15	B_3g	1088	1013	0.00
16	B_3u	2709	2520	145.93
17	B_3u	1818	1692	515.16
18	B_3u	1247	1160	85.57

Atom	x (Å)	y (Å)	z (Å)
B1	0.879	0.000	0.000
B2	-0.879	0.000	0.000
H3	0.000	0.000	0.967
H4	0.000	0.000	-0.967
H5	1.452	1.035	0.000
H6	1.452	-1.035	0.000
H7	-1.452	1.035	0.000
H8	-1.452	-1.035	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7581	1.3067	1.3067	1.1829	1.1829	2.5507	2.5507
B2	1.7581		1.3067	1.3067	2.5507	2.5507	1.1829	1.1829
H3	1.3067	1.3067		1.9336	2.0284	2.0284	2.0284	2.0284
H4	1.3067	1.3067	1.9336		2.0284	2.0284	2.0284	2.0284
H5	1.1829	2.5507	2.0284	2.0284		2.0694	2.9047	3.5665
H6	1.1829	2.5507	2.0284	2.0284	2.0694		3.5665	2.9047
H7	2.5507	1.1829	2.0284	2.0284	2.9047	3.5665		2.0694
H8	2.5507	1.1829	2.0284	2.0284	3.5665	2.9047	2.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.557	B1	H4	B2	84.557
H3	B1	H4	95.443	H3	B1	H5	109.029
H3	B1	H6	109.029	H3	B2	H4	95.443
H3	B2	H7	109.029	H3	B2	H8	109.029
H4	B1	H5	109.029	H4	B1	H6	109.029
H4	B2	H7	109.029	H4	B2	H8	109.029
H5	B1	H6	122.021	H7	B2	H8	122.021

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for B₂H₆ (Diborane)