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	hartrees
Energy at 0K	-52.667477
Energy at 298.15K	-52.673403
HF Energy	-52.497237
Nuclear repulsion energy	31.845110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2640	2584
2	A_g	2172	2126
3	A_g	1214	1188
4	A_g	806	789
5	A_u	871	853
6	B_1g	2732	2674
7	B_1g	917	898
8	B_1u	1938	1897
9	B_1u	975	954
10	B_2g	1879	1840
11	B_2g	800	783
12	B_2u	2742	2684
13	B_2u	1013	992
14	B_2u	406	398
15	B_3g	1087	1064
16	B_3u	2629	2573
17	B_3u	1765	1728
18	B_3u	1214	1189

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	1.048	0.000
H6	1.471	-1.048	0.000
H7	-1.471	1.048	0.000
H8	-1.471	-1.048	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7822	1.3229	1.3229	1.1980	1.1980	2.5839	2.5839
B2	1.7822		1.3229	1.3229	2.5839	2.5839	1.1980	1.1980
H3	1.3229	1.3229		1.9555	2.0537	2.0537	2.0537	2.0537
H4	1.3229	1.3229	1.9555		2.0537	2.0537	2.0537	2.0537
H5	1.1980	2.5839	2.0537	2.0537		2.0970	2.9411	3.6121
H6	1.1980	2.5839	2.0537	2.0537	2.0970		3.6121	2.9411
H7	2.5839	1.1980	2.0537	2.0537	2.9411	3.6121		2.0970
H8	2.5839	1.1980	2.0537	2.0537	3.6121	2.9411	2.0970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.691	B1	H4	B2	84.691
H3	B1	H4	95.309	H3	B1	H5	109.016
H3	B1	H6	109.016	H3	B2	H4	95.309
H3	B2	H7	109.016	H3	B2	H8	109.016
H4	B1	H5	109.016	H4	B1	H6	109.016
H4	B2	H7	109.016	H4	B2	H8	109.016
H5	B1	H6	122.144	H7	B2	H8	122.144

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4=FULL/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=FULL/3-21G

States and conformations

All results from a given calculation for B₂H₆ (Diborane)