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	hartrees
Energy at 0K	-53.144520
Energy at 298.15K	-53.150447
HF Energy	-52.836121
Nuclear repulsion energy	32.116482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2631	2631
2	A_g	2190	2190
3	A_g	1213	1213
4	A_g	816	816
5	A_u	858	858
6	B_1g	2707	2707
7	B_1g	945	945
8	B_1u	2014	2014
9	B_1u	998	998
10	B_2g	1898	1898
11	B_2g	900	900
12	B_2u	2721	2721
13	B_2u	985	985
14	B_2u	374	374
15	B_3g	1067	1067
16	B_3u	2615	2615
17	B_3u	1757	1757
18	B_3u	1202	1202

Atom	x (Å)	y (Å)	z (Å)
B1	0.881	0.000	0.000
B2	-0.881	0.000	0.000
H3	0.000	0.000	0.975
H4	0.000	0.000	-0.975
H5	1.455	1.041	0.000
H6	1.455	-1.041	0.000
H7	-1.455	1.041	0.000
H8	-1.455	-1.041	0.000

	B1	B2	H3	H4	H5	H6	H7	H8
B1		1.7624	1.3144	1.3144	1.1885	1.1885	2.5577	2.5577
B2	1.7624		1.3144	1.3144	2.5577	2.5577	1.1885	1.1885
H3	1.3144	1.3144		1.9506	2.0376	2.0376	2.0376	2.0376
H4	1.3144	1.3144	1.9506		2.0376	2.0376	2.0376	2.0376
H5	1.1885	2.5577	2.0376	2.0376		2.0814	2.9104	3.5781
H6	1.1885	2.5577	2.0376	2.0376	2.0814		3.5781	2.9104
H7	2.5577	1.1885	2.0376	2.0376	2.9104	3.5781		2.0814
H8	2.5577	1.1885	2.0376	2.0376	3.5781	2.9104	2.0814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	H3	B2	84.196	B1	H4	B2	84.196
H3	B1	H4	95.804	H3	B1	H5	108.891
H3	B1	H6	108.891	H3	B2	H4	95.804
H3	B2	H7	108.891	H3	B2	H8	108.891
H4	B1	H5	108.891	H4	B1	H6	108.891
H4	B2	H7	108.891	H4	B2	H8	108.891
H5	B1	H6	122.243	H7	B2	H8	122.243

All results from a given calculation for B₂H₆ (Diborane)

using model chemistry: CCSD(T)/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: CCSD(T)/Def2TZVPP

States and conformations

All results from a given calculation for B₂H₆ (Diborane)