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	hartrees
Energy at 0K	-53.182080
Energy at 298.15K	-53.188028
HF Energy	-52.836030
Nuclear repulsion energy	32.259666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2652	2652
2	A_g	2195	2195
3	A_g	1221	1221
4	A_g	824	824
5	A_u	867	867
6	B_1g	2725	2725
7	B_1g	951	951
8	B_1u	2014	2014
9	B_1u	1004	1004
10	B_2g	1905	1905
11	B_2g	912	912
12	B_2u	2738	2738
13	B_2u	989	989
14	B_2u	381	381
15	B_3g	1076	1076
16	B_3u	2636	2636
17	B_3u	1760	1760
18	B_3u	1212	1212

Atom	x (Å)	y (Å)	z (Å)
B1	0.877	0.000	0.000
B2	-0.877	0.000	0.000
H3	0.000	0.000	0.971
H4	0.000	0.000	-0.971
H5	1.450	1.036	0.000
H6	1.450	-1.036	0.000
H7	-1.450	1.036	0.000
H8	-1.450	-1.036	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7535	1.3085	1.3085	1.1841	1.1841	2.5468	2.5468
B2	1.7535		1.3085	1.3085	2.5468	2.5468	1.1841	1.1841
H3	1.3085	1.3085		1.9426	2.0295	2.0295	2.0295	2.0295
H4	1.3085	1.3085	1.9426		2.0295	2.0295	2.0295	2.0295
H5	1.1841	2.5468	2.0295	2.0295		2.0724	2.8994	3.5639
H6	1.1841	2.5468	2.0295	2.0295	2.0724		3.5639	2.8994
H7	2.5468	1.1841	2.0295	2.0295	2.8994	3.5639		2.0724
H8	2.5468	1.1841	2.0295	2.0295	3.5639	2.8994	2.0724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.141	B1	H4	B2	84.141
H3	B1	H4	95.859	H3	B1	H5	108.919
H3	B1	H6	108.919	H3	B2	H4	95.859
H3	B2	H7	108.919	H3	B2	H8	108.919
H4	B1	H5	108.919	H4	B1	H6	108.919
H4	B2	H7	108.919	H4	B2	H8	108.919
H5	B1	H6	122.121	H7	B2	H8	122.121

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: MP4=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for B₂H₆ (Diborane)