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	hartrees
Energy at 0K	-582.226562
Energy at 298.15K	-582.232224
HF Energy	-582.226562
Nuclear repulsion energy	90.185620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2158	2136	0.00
2	A_1g	872	863	0.00
3	A_1g	419	415	0.00
4	A_1u	129	128	0.00
5	A_2u	2152	2130	97.53
6	A_2u	802	794	405.52
7	E_g	2165	2143	0.00
7	E_g	2165	2143	0.00
8	E_g	900	891	0.00
8	E_g	900	891	0.00
9	E_g	603	597	0.00
9	E_g	603	597	0.00
10	E_u	2174	2152	153.70
10	E_u	2174	2152	153.74
11	E_u	913	904	59.49
11	E_u	913	904	59.50
12	E_u	353	349	12.40
12	E_u	353	349	12.40

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.176
Si2	0.000	0.000	-1.176
H3	0.000	1.403	1.701
H4	-1.215	-0.702	1.701
H5	1.215	-0.702	1.701
H6	0.000	-1.403	-1.701
H7	-1.215	0.702	-1.701
H8	1.215	0.702	-1.701

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3518	1.4983	1.4983	1.4983	3.2008	3.2008	3.2008
Si2	2.3518		3.2008	3.2008	3.2008	1.4983	1.4983	1.4983
H3	1.4983	3.2008		2.4306	2.4306	4.4101	3.6799	3.6799
H4	1.4983	3.2008	2.4306		2.4306	3.6799	3.6799	4.4101
H5	1.4983	3.2008	2.4306	2.4306		3.6799	4.4101	3.6799
H6	3.2008	1.4983	4.4101	3.6799	3.6799		2.4306	2.4306
H7	3.2008	1.4983	3.6799	3.6799	4.4101	2.4306		2.4306
H8	3.2008	1.4983	3.6799	4.4101	3.6799	2.4306	2.4306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.511	Si1	Si2	H7	110.511
Si1	Si2	H8	110.511	Si2	Si1	H3	110.511
Si2	Si1	H4	110.511	Si2	Si1	H5	110.511
H3	Si1	H4	108.412	H3	Si1	H5	108.412
H4	Si1	H5	108.412	H6	Si2	H7	108.412
H6	Si2	H8	108.412	H7	Si2	H8	108.412

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	-0.147
2	Si	-0.147
3	H	0.049
4	H	0.049
5	H	0.049
6	H	0.049
7	H	0.049
8	H	0.049

<r²>	87.273
(<r²>)^1/2	9.342

All results from a given calculation for Si2H6 (disilane)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for Si₂H₆ (disilane)