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	hartrees
Energy at 0K	-53.020782
Energy at 298.15K	-53.026710
HF Energy	-52.812119
Nuclear repulsion energy	32.150401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2689	2524	0.00
2	A_g	2259	2121	0.00
3	A_g	1238	1162	0.00
4	A_g	843	791	0.00
5	A_u	869	816	0.00
6	B_1g	2773	2603	0.00
7	B_1g	965	906	0.00
8	B_1u	2096	1967	13.73
9	B_1u	1008	946	17.04
10	B_2g	1949	1830	0.00
11	B_2g	893	838	0.00
12	B_2u	2785	2614	157.66
13	B_2u	997	936	2.10
14	B_2u	368	345	13.44
15	B_3g	1076	1010	0.00
16	B_3u	2676	2511	140.14
17	B_3u	1808	1697	491.78
18	B_3u	1230	1154	67.83

Atom	x (Å)	y (Å)	z (Å)
B1	0.876	0.000	0.000
B2	-0.876	0.000	0.000
H3	0.000	0.000	0.977
H4	0.000	0.000	-0.977
H5	1.458	1.040	0.000
H6	1.458	-1.040	0.000
H7	-1.458	1.040	0.000
H8	-1.458	-1.040	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7524	1.3123	1.3123	1.1916	1.1916	2.5553	2.5553
B2	1.7524		1.3123	1.3123	2.5553	2.5553	1.1916	1.1916
H3	1.3123	1.3123		1.9540	2.0400	2.0400	2.0400	2.0400
H4	1.3123	1.3123	1.9540		2.0400	2.0400	2.0400	2.0400
H5	1.1916	2.5553	2.0400	2.0400		2.0801	2.9157	3.5816
H6	1.1916	2.5553	2.0400	2.0400	2.0801		3.5816	2.9157
H7	2.5553	1.1916	2.0400	2.0400	2.9157	3.5816		2.0801
H8	2.5553	1.1916	2.0400	2.0400	3.5816	2.9157	2.0801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	83.775	B1	H4	B2	83.775
H3	B1	H4	96.225	H3	B1	H5	109.018
H3	B1	H6	109.018	H3	B2	H4	96.225
H3	B2	H7	109.018	H3	B2	H8	109.018
H4	B1	H5	109.018	H4	B1	H6	109.018
H4	B2	H7	109.018	H4	B2	H8	109.018
H5	B1	H6	121.572	H7	B2	H8	121.572

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for B₂H₆ (Diborane)