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	hartrees
Energy at 0K	-582.491177
Energy at 298.15K	-582.497033
HF Energy	-582.491177
Nuclear repulsion energy	90.566070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2230	2141	0.00
2	A_1g	920	883	0.00
3	A_1g	437	419	0.00
4	A_1u	142	136	0.00
5	A_2u	2221	2133	140.11
6	A_2u	846	812	514.87
7	E_g	2234	2145	0.00
7	E_g	2234	2145	0.00
8	E_g	940	903	0.00
8	E_g	940	903	0.00
9	E_g	635	610	0.00
9	E_g	635	610	0.00
10	E_u	2243	2154	239.93
10	E_u	2243	2154	239.94
11	E_u	953	915	82.17
11	E_u	953	915	82.17
12	E_u	383	368	23.37
12	E_u	383	368	23.37

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	1.692
H4	-1.209	-0.698	1.692
H5	1.209	-0.698	1.692
H6	0.000	-1.396	-1.692
H7	-1.209	0.698	-1.692
H8	1.209	0.698	-1.692

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3451	1.4893	1.4893	1.4893	3.1867	3.1867	3.1867
Si2	2.3451		3.1867	3.1867	3.1867	1.4893	1.4893	1.4893
H3	1.4893	3.1867		2.4173	2.4173	4.3871	3.6610	3.6610
H4	1.4893	3.1867	2.4173		2.4173	3.6610	3.6610	4.3871
H5	1.4893	3.1867	2.4173	2.4173		3.6610	4.3871	3.6610
H6	3.1867	1.4893	4.3871	3.6610	3.6610		2.4173	2.4173
H7	3.1867	1.4893	3.6610	3.6610	4.3871	2.4173		2.4173
H8	3.1867	1.4893	3.6610	4.3871	3.6610	2.4173	2.4173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.424	Si1	Si2	H7	110.424
Si1	Si2	H8	110.424	Si2	Si1	H3	110.424
Si2	Si1	H4	110.424	Si2	Si1	H5	110.424
H3	Si1	H4	108.501	H3	Si1	H5	108.501
H4	Si1	H5	108.501	H6	Si2	H7	108.501
H6	Si2	H8	108.501	H7	Si2	H8	108.501

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B3PW91/6-31+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	0.238
2	Si	0.238
3	H	-0.079
4	H	-0.079
5	H	-0.079
6	H	-0.079
7	H	-0.079
8	H	-0.079

	x	y	z
x	7.210	0.000	0.000
y	0.000	7.210	-0.000
z	0.000	-0.000	9.741

<r²>	87.047
(<r²>)^1/2	9.330

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for Si₂H₆ (disilane)