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	hartrees
Energy at 0K	-582.543990
Energy at 298.15K	-582.549798
HF Energy	-582.543990
Nuclear repulsion energy	90.203851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2177	2140	0.00
2	A_1g	907	891	0.00
3	A_1g	424	416	0.00
4	A_1u	142	140	0.00
5	A_2u	2168	2131	153.32
6	A_2u	837	823	508.49
7	E_g	2182	2144	0.00
7	E_g	2182	2144	0.00
8	E_g	926	910	0.00
8	E_g	926	910	0.00
9	E_g	626	616	0.00
9	E_g	626	616	0.00
10	E_u	2193	2155	262.85
10	E_u	2193	2155	262.83
11	E_u	940	924	78.76
11	E_u	940	924	78.75
12	E_u	379	372	22.48
12	E_u	379	372	22.49

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.178
Si2	0.000	0.000	-1.178
H3	0.000	1.401	1.698
H4	-1.213	-0.701	1.698
H5	1.213	-0.701	1.698
H6	0.000	-1.401	-1.698
H7	-1.213	0.701	-1.698
H8	1.213	0.701	-1.698

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3554	1.4946	1.4946	1.4946	3.1990	3.1990	3.1990
Si2	2.3554		3.1990	3.1990	3.1990	1.4946	1.4946	1.4946
H3	1.4946	3.1990		2.4268	2.4268	4.4030	3.6739	3.6739
H4	1.4946	3.1990	2.4268		2.4268	3.6739	3.6739	4.4030
H5	1.4946	3.1990	2.4268	2.4268		3.6739	4.4030	3.6739
H6	3.1990	1.4946	4.4030	3.6739	3.6739		2.4268	2.4268
H7	3.1990	1.4946	3.6739	3.6739	4.4030	2.4268		2.4268
H8	3.1990	1.4946	3.6739	4.4030	3.6739	2.4268	2.4268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.377	Si1	Si2	H7	110.377
Si1	Si2	H8	110.377	Si2	Si1	H3	110.377
Si2	Si1	H4	110.377	Si2	Si1	H5	110.377
H3	Si1	H4	108.550	H3	Si1	H5	108.550
H4	Si1	H5	108.550	H6	Si2	H7	108.550
H6	Si2	H8	108.550	H7	Si2	H8	108.550

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B97D3/6-31+G**

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	0.232
2	Si	0.232
3	H	-0.077
4	H	-0.077
5	H	-0.077
6	H	-0.077
7	H	-0.077
8	H	-0.077

	x	y	z
x	7.400	0.000	0.000
y	0.000	7.399	-0.000
z	0.000	-0.000	10.155

<r²>	87.731
(<r²>)^1/2	9.366

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for Si₂H₆ (disilane)