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	hartrees
Energy at 0K	-582.611545
Energy at 298.15K	-582.617341
HF Energy	-582.611545
Nuclear repulsion energy	90.005191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2189	2123	0.00
2	A_1g	913	885	0.00
3	A_1g	420	407	0.00
4	A_1u	131	127	0.00
5	A_2u	2181	2115	116.87
6	A_2u	841	816	482.31
7	E_g	2193	2127	0.00
7	E_g	2193	2127	0.00
8	E_g	936	908	0.00
8	E_g	936	908	0.00
9	E_g	628	609	0.00
9	E_g	628	609	0.00
10	E_u	2202	2136	190.66
10	E_u	2202	2136	190.68
11	E_u	950	921	78.58
11	E_u	950	921	78.58
12	E_u	370	359	18.23
12	E_u	370	359	18.24

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.181
Si2	0.000	0.000	-1.181
H3	0.000	1.404	1.701
H4	-1.216	-0.702	1.701
H5	1.216	-0.702	1.701
H6	0.000	-1.404	-1.701
H7	-1.216	0.702	-1.701
H8	1.216	0.702	-1.701

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3612	1.4975	1.4975	1.4975	3.2053	3.2053	3.2053
Si2	2.3612		3.2053	3.2053	3.2053	1.4975	1.4975	1.4975
H3	1.4975	3.2053		2.4323	2.4323	4.4111	3.6799	3.6799
H4	1.4975	3.2053	2.4323		2.4323	3.6799	3.6799	4.4111
H5	1.4975	3.2053	2.4323	2.4323		3.6799	4.4111	3.6799
H6	3.2053	1.4975	4.4111	3.6799	3.6799		2.4323	2.4323
H7	3.2053	1.4975	3.6799	3.6799	4.4111	2.4323		2.4323
H8	3.2053	1.4975	3.6799	4.4111	3.6799	2.4323	2.4323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.323	Si1	Si2	H7	110.323
Si1	Si2	H8	110.323	Si2	Si1	H3	110.323
Si2	Si1	H4	110.323	Si2	Si1	H5	110.323
H3	Si1	H4	108.606	H3	Si1	H5	108.606
H4	Si1	H5	108.606	H6	Si2	H7	108.606
H6	Si2	H8	108.606	H7	Si2	H8	108.606

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B3LYPultrafine/cc-pVDZ

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	0.163
2	Si	0.163
3	H	-0.054
4	H	-0.054
5	H	-0.054
6	H	-0.054
7	H	-0.054
8	H	-0.054

<r²>	87.956
(<r²>)^1/2	9.378

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)