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	hartrees
Energy at 0K	-582.648303
Energy at 298.15K	-582.654165
HF Energy	-582.648303
Nuclear repulsion energy	90.542131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2226	2148	0.00
2	A_1g	928	896	0.00
3	A_1g	426	411	0.00
4	A_1u	137	132	0.00
5	A_2u	2218	2141	108.99
6	A_2u	854	825	490.62
7	E_g	2227	2150	0.00
7	E_g	2227	2150	0.00
8	E_g	947	914	0.00
8	E_g	947	914	0.00
9	E_g	636	614	0.00
9	E_g	636	614	0.00
10	E_u	2237	2159	186.06
10	E_u	2237	2159	186.16
11	E_u	961	927	78.27
11	E_u	961	927	78.31
12	E_u	377	364	19.18
12	E_u	377	364	19.20

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.175
Si2	0.000	0.000	-1.175
H3	0.000	1.392	1.694
H4	-1.206	-0.696	1.694
H5	1.206	-0.696	1.694
H6	0.000	-1.392	-1.694
H7	-1.206	0.696	-1.694
H8	1.206	0.696	-1.694

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3498	1.4858	1.4858	1.4858	3.1889	3.1889	3.1889
Si2	2.3498		3.1889	3.1889	3.1889	1.4858	1.4858	1.4858
H3	1.4858	3.1889		2.4112	2.4112	4.3854	3.6630	3.6630
H4	1.4858	3.1889	2.4112		2.4112	3.6630	3.6630	4.3854
H5	1.4858	3.1889	2.4112	2.4112		3.6630	4.3854	3.6630
H6	3.1889	1.4858	4.3854	3.6630	3.6630		2.4112	2.4112
H7	3.1889	1.4858	3.6630	3.6630	4.3854	2.4112		2.4112
H8	3.1889	1.4858	3.6630	4.3854	3.6630	2.4112	2.4112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.453	Si1	Si2	H7	110.453
Si1	Si2	H8	110.453	Si2	Si1	H3	110.453
Si2	Si1	H4	110.453	Si2	Si1	H5	110.453
H3	Si1	H4	108.472	H3	Si1	H5	108.472
H4	Si1	H5	108.472	H6	Si2	H7	108.472
H6	Si2	H8	108.472	H7	Si2	H8	108.472

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: TPSSh/aug-cc-pVTZ

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	0.332
2	Si	0.332
3	H	-0.111
4	H	-0.111
5	H	-0.111
6	H	-0.111
7	H	-0.111
8	H	-0.111

<r²>	87.119
(<r²>)^1/2	9.334

All results from a given calculation for Si2H6 (disilane)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)