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	hartrees
Energy at 0K	-582.630191
Energy at 298.15K	-582.636063
HF Energy	-582.630191
Nuclear repulsion energy	90.357445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2226	2145	0.00
2	A_1g	929	895	0.00
3	A_1g	425	410	0.00
4	A_1u	143	138	0.00
5	A_2u	2218	2137	116.93
6	A_2u	854	823	519.04
7	E_g	2228	2147	0.00
7	E_g	2228	2147	0.00
8	E_g	949	915	0.00
8	E_g	949	915	0.00
9	E_g	639	616	0.00
9	E_g	639	616	0.00
10	E_u	2237	2156	200.97
10	E_u	2237	2156	201.05
11	E_u	964	929	85.92
11	E_u	964	929	85.95
12	E_u	379	365	22.14
12	E_u	379	365	22.15

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.177
Si2	0.000	0.000	-1.177
H3	0.000	1.396	1.697
H4	-1.209	-0.698	1.697
H5	1.209	-0.698	1.697
H6	0.000	-1.396	-1.697
H7	-1.209	0.698	-1.697
H8	1.209	0.698	-1.697

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3543	1.4892	1.4892	1.4892	3.1947	3.1947	3.1947
Si2	2.3543		3.1947	3.1947	3.1947	1.4892	1.4892	1.4892
H3	1.4892	3.1947		2.4175	2.4175	4.3937	3.6689	3.6689
H4	1.4892	3.1947	2.4175		2.4175	3.6689	3.6689	4.3937
H5	1.4892	3.1947	2.4175	2.4175		3.6689	4.3937	3.6689
H6	3.1947	1.4892	4.3937	3.6689	3.6689		2.4175	2.4175
H7	3.1947	1.4892	3.6689	3.6689	4.3937	2.4175		2.4175
H8	3.1947	1.4892	3.6689	4.3937	3.6689	2.4175	2.4175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.410	Si1	Si2	H7	110.410
Si1	Si2	H8	110.410	Si2	Si1	H3	110.410
Si2	Si1	H4	110.410	Si2	Si1	H5	110.410
H3	Si1	H4	108.516	H3	Si1	H5	108.516
H4	Si1	H5	108.516	H6	Si2	H7	108.516
H6	Si2	H8	108.516	H7	Si2	H8	108.516

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: TPSSh/TZVP

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	0.198
2	Si	0.198
3	H	-0.066
4	H	-0.066
5	H	-0.066
6	H	-0.066
7	H	-0.066
8	H	-0.066

<r²>	87.386
(<r²>)^1/2	9.348

All results from a given calculation for Si2H6 (disilane)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for Si₂H₆ (disilane)