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	hartrees
Energy at 0K	-53.129985
Energy at 298.15K	-53.135940
HF Energy	-52.834982
Nuclear repulsion energy	32.189954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2657	2510	0.00
2	A_g	2206	2084	0.00
3	A_g	1227	1159	0.00
4	A_g	826	781	0.00
5	A_u	866	818	0.00
6	B_1g	2737	2586	0.00
7	B_1g	955	902	0.00
8	B_1u	2033	1921	10.43
9	B_1u	1009	953	25.55
10	B_2g	1919	1813	0.00
11	B_2g	911	861	0.00
12	B_2u	2751	2598	169.30
13	B_2u	990	935	1.16
14	B_2u	376	355	16.04
15	B_3g	1080	1020	0.00
16	B_3u	2641	2495	145.12
17	B_3u	1764	1667	503.54
18	B_3u	1213	1146	79.27

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	0.974
H4	0.000	0.000	-0.974
H5	1.452	1.038	0.000
H6	1.452	-1.038	0.000
H7	-1.452	1.038	0.000
H8	-1.452	-1.038	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7580	1.3123	1.3123	1.1855	1.1855	2.5515	2.5515
B2	1.7580		1.3123	1.3123	2.5515	2.5515	1.1855	1.1855
H3	1.3123	1.3123		1.9489	2.0334	2.0334	2.0334	2.0334
H4	1.3123	1.3123	1.9489		2.0334	2.0334	2.0334	2.0334
H5	1.1855	2.5515	2.0334	2.0334		2.0758	2.9037	3.5694
H6	1.1855	2.5515	2.0334	2.0334	2.0758		3.5694	2.9037
H7	2.5515	1.1855	2.0334	2.0334	2.9037	3.5694		2.0758
H8	2.5515	1.1855	2.0334	2.0334	3.5694	2.9037	2.0758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.104	B1	H4	B2	84.104
H3	B1	H4	95.896	H3	B1	H5	108.885
H3	B1	H6	108.885	H3	B2	H4	95.896
H3	B2	H7	108.885	H3	B2	H8	108.885
H4	B1	H5	108.885	H4	B1	H6	108.885
H4	B2	H7	108.885	H4	B2	H8	108.885
H5	B1	H6	122.207	H7	B2	H8	122.207

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for B₂H₆ (Diborane)