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	hartrees
Energy at 0K	-581.365747
Energy at 298.15K	-581.371809
HF Energy	-581.365747
Nuclear repulsion energy	90.420969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2313	2097	0.00
2	A_1g	1024	928	0.00
3	A_1g	443	402	0.00
4	A_1u	137	125	0.00
5	A_2u	2299	2084	169.23
6	A_2u	942	854	661.76
7	E_g	2295	2080	0.00
7	E_g	2295	2080	0.00
8	E_g	1020	924	0.00
8	E_g	1020	924	0.00
9	E_g	689	625	0.00
9	E_g	689	625	0.00
10	E_u	2305	2089	292.69
10	E_u	2305	2089	292.69
11	E_u	1035	938	117.58
11	E_u	1035	938	117.58
12	E_u	402	365	29.18
12	E_u	402	365	29.18

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.182
Si2	0.000	0.000	-1.182
H3	0.000	1.386	1.696
H4	-1.200	-0.693	1.696
H5	1.200	-0.693	1.696
H6	0.000	-1.386	-1.696
H7	-1.200	0.693	-1.696
H8	1.200	0.693	-1.696

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3634	1.4783	1.4783	1.4783	3.1943	3.1943	3.1943
Si2	2.3634		3.1943	3.1943	3.1943	1.4783	1.4783	1.4783
H3	1.4783	3.1943		2.4004	2.4004	4.3808	3.6646	3.6646
H4	1.4783	3.1943	2.4004		2.4004	3.6646	3.6646	4.3808
H5	1.4783	3.1943	2.4004	2.4004		3.6646	4.3808	3.6646
H6	3.1943	1.4783	4.3808	3.6646	3.6646		2.4004	2.4004
H7	3.1943	1.4783	3.6646	3.6646	4.3808	2.4004		2.4004
H8	3.1943	1.4783	3.6646	4.3808	3.6646	2.4004	2.4004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.368	Si1	Si2	H7	110.368
Si1	Si2	H8	110.368	Si2	Si1	H3	110.368
Si2	Si1	H4	110.368	Si2	Si1	H5	110.368
H3	Si1	H4	108.560	H3	Si1	H5	108.560
H4	Si1	H5	108.560	H6	Si2	H7	108.560
H6	Si2	H8	108.560	H7	Si2	H8	108.560

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: HF/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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Number	Element	Mulliken
1	Si	0.282
2	Si	0.282
3	H	-0.094
4	H	-0.094
5	H	-0.094
6	H	-0.094
7	H	-0.094
8	H	-0.094

All results from a given calculation for Si2H6 (disilane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for Si₂H₆ (disilane)