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	hartrees
Energy at 0K	-582.526592
Energy at 298.15K	-582.532411
HF Energy	-582.526592
Nuclear repulsion energy	90.363052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2207	2128	0.00
2	A_1g	910	877	0.00
3	A_1g	427	412	0.00
4	A_1u	139	134	0.00
5	A_2u	2199	2120	115.83
6	A_2u	836	806	493.97
7	E_g	2211	2132	0.00
7	E_g	2211	2132	0.00
8	E_g	934	900	0.00
8	E_g	934	900	0.00
9	E_g	628	605	0.00
9	E_g	628	605	0.00
10	E_u	2221	2141	194.34
10	E_u	2221	2141	194.37
11	E_u	948	914	80.57
11	E_u	948	914	80.58
12	E_u	373	359	21.54
12	E_u	373	359	21.54

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.175
Si2	0.000	0.000	-1.175
H3	0.000	1.399	1.695
H4	-1.212	-0.700	1.695
H5	1.212	-0.700	1.695
H6	0.000	-1.399	-1.695
H7	-1.212	0.700	-1.695
H8	1.212	0.700	-1.695

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3506	1.4926	1.4926	1.4926	3.1929	3.1929	3.1929
Si2	2.3506		3.1929	3.1929	3.1929	1.4926	1.4926	1.4926
H3	1.4926	3.1929		2.4239	2.4239	4.3954	3.6667	3.6667
H4	1.4926	3.1929	2.4239		2.4239	3.6667	3.6667	4.3954
H5	1.4926	3.1929	2.4239	2.4239		3.6667	4.3954	3.6667
H6	3.1929	1.4926	4.3954	3.6667	3.6667		2.4239	2.4239
H7	3.1929	1.4926	3.6667	3.6667	4.3954	2.4239		2.4239
H8	3.1929	1.4926	3.6667	4.3954	3.6667	2.4239	2.4239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.357	Si1	Si2	H7	110.357
Si1	Si2	H8	110.357	Si2	Si1	H3	110.357
Si2	Si1	H4	110.357	Si2	Si1	H5	110.357
H3	Si1	H4	108.571	H3	Si1	H5	108.571
H4	Si1	H5	108.571	H6	Si2	H7	108.571
H6	Si2	H8	108.571	H7	Si2	H8	108.571

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B3PW91/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	0.190
2	Si	0.190
3	H	-0.063
4	H	-0.063
5	H	-0.063
6	H	-0.063
7	H	-0.063
8	H	-0.063

<r²>	87.302
(<r²>)^1/2	9.344

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for Si₂H₆ (disilane)