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	hartrees
Energy at 0K	-582.610659
Energy at 298.15K	-582.616513
HF Energy	-582.610659
Nuclear repulsion energy	90.589374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2229	2133	0.00
2	A_1g	919	880	0.00
3	A_1g	431	413	0.00
4	A_1u	138	132	0.00
5	A_2u	2221	2125	109.75
6	A_2u	846	809	506.24
7	E_g	2233	2136	0.00
7	E_g	2233	2136	0.00
8	E_g	941	900	0.00
8	E_g	941	900	0.00
9	E_g	636	608	0.00
9	E_g	636	608	0.00
10	E_u	2242	2145	187.90
10	E_u	2242	2145	187.95
11	E_u	954	913	84.71
11	E_u	954	913	84.72
12	E_u	379	363	23.66
12	E_u	379	363	23.66

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.173
Si2	0.000	0.000	-1.173
H3	0.000	1.396	1.690
H4	-1.209	-0.698	1.690
H5	1.209	-0.698	1.690
H6	0.000	-1.396	-1.690
H7	-1.209	0.698	-1.690
H8	1.209	0.698	-1.690

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3455	1.4883	1.4883	1.4883	3.1846	3.1846	3.1846
Si2	2.3455		3.1846	3.1846	3.1846	1.4883	1.4883	1.4883
H3	1.4883	3.1846		2.4173	2.4173	4.3831	3.6562	3.6562
H4	1.4883	3.1846	2.4173		2.4173	3.6562	3.6562	4.3831
H5	1.4883	3.1846	2.4173	2.4173		3.6562	4.3831	3.6562
H6	3.1846	1.4883	4.3831	3.6562	3.6562		2.4173	2.4173
H7	3.1846	1.4883	3.6562	3.6562	4.3831	2.4173		2.4173
H8	3.1846	1.4883	3.6562	4.3831	3.6562	2.4173	2.4173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.324	Si1	Si2	H7	110.324
Si1	Si2	H8	110.324	Si2	Si1	H3	110.324
Si2	Si1	H4	110.324	Si2	Si1	H5	110.324
H3	Si1	H4	108.605	H3	Si1	H5	108.605
H4	Si1	H5	108.605	H6	Si2	H7	108.605
H6	Si2	H8	108.605	H7	Si2	H8	108.605

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: mPW1PW91/6-311G**

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	0.266
2	Si	0.266
3	H	-0.089
4	H	-0.089
5	H	-0.089
6	H	-0.089
7	H	-0.089
8	H	-0.089

<r²>	86.971
(<r²>)^1/2	9.326

All results from a given calculation for Si2H6 (disilane)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for Si₂H₆ (disilane)