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	hartrees
Energy at 0K	-52.665020
Energy at 298.15K	-52.670945
HF Energy	-52.497225
Nuclear repulsion energy	31.836678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2639	2560
2	A_g	2171	2106
3	A_g	1213	1177
4	A_g	805	781
5	A_u	871	845
6	B_1g	2732	2649
7	B_1g	917	889
8	B_1u	1937	1878
9	B_1u	974	945
10	B_2g	1878	1822
11	B_2g	799	775
12	B_2u	2741	2658
13	B_2u	1013	982
14	B_2u	406	394
15	B_3g	1088	1055
16	B_3u	2628	2549
17	B_3u	1765	1712
18	B_3u	1214	1177

Atom	x (Å)	y (Å)	z (Å)
B1	0.891	0.000	0.000
B2	-0.891	0.000	0.000
H3	0.000	0.000	0.978
H4	0.000	0.000	-0.978
H5	1.471	1.049	0.000
H6	1.471	-1.049	0.000
H7	-1.471	1.049	0.000
H8	-1.471	-1.049	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7830	1.3233	1.3233	1.1981	1.1981	2.5846	2.5846
B2	1.7830		1.3233	1.3233	2.5846	2.5846	1.1981	1.1981
H3	1.3233	1.3233		1.9558	2.0541	2.0541	2.0541	2.0541
H4	1.3233	1.3233	1.9558		2.0541	2.0541	2.0541	2.0541
H5	1.1981	2.5846	2.0541	2.0541		2.0974	2.9417	3.6128
H6	1.1981	2.5846	2.0541	2.0541	2.0974		3.6128	2.9417
H7	2.5846	1.1981	2.0541	2.0541	2.9417	3.6128		2.0974
H8	2.5846	1.1981	2.0541	2.0541	3.6128	2.9417	2.0974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.707	B1	H4	B2	84.707
H3	B1	H4	95.293	H3	B1	H5	109.012
H3	B1	H6	109.012	H3	B2	H4	95.293
H3	B2	H7	109.012	H3	B2	H8	109.012
H4	B1	H5	109.012	H4	B1	H6	109.012
H4	B2	H7	109.012	H4	B2	H8	109.012
H5	B1	H6	122.164	H7	B2	H8	122.164

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for B₂H₆ (Diborane)