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	hartrees
Energy at 0K	-582.573985
Energy at 298.15K	-582.579723
HF Energy	-582.573985
Nuclear repulsion energy	89.978222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2154	2146	0.00
2	A_1g	894	891	0.00
3	A_1g	407	405	0.00
4	A_1u	132	131	0.00
5	A_2u	2147	2139	114.33
6	A_2u	823	821	483.88
7	E_g	2159	2152	0.00
7	E_g	2159	2152	0.00
8	E_g	918	915	0.00
8	E_g	918	915	0.00
9	E_g	612	610	0.00
9	E_g	612	610	0.00
10	E_u	2169	2162	190.12
10	E_u	2169	2162	190.14
11	E_u	931	928	75.04
11	E_u	931	928	75.04
12	E_u	365	363	19.20
12	E_u	365	363	19.20

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.183
Si2	0.000	0.000	-1.183
H3	0.000	1.399	1.705
H4	-1.212	-0.700	1.705
H5	1.212	-0.700	1.705
H6	0.000	-1.399	-1.705
H7	-1.212	0.700	-1.705
H8	1.212	0.700	-1.705

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3661	1.4935	1.4935	1.4935	3.2095	3.2095	3.2095
Si2	2.3661		3.2095	3.2095	3.2095	1.4935	1.4935	1.4935
H3	1.4935	3.2095		2.4235	2.4235	4.4119	3.6866	3.6866
H4	1.4935	3.2095	2.4235		2.4235	3.6866	3.6866	4.4119
H5	1.4935	3.2095	2.4235	2.4235		3.6866	4.4119	3.6866
H6	3.2095	1.4935	4.4119	3.6866	3.6866		2.4235	2.4235
H7	3.2095	1.4935	3.6866	3.6866	4.4119	2.4235		2.4235
H8	3.2095	1.4935	3.6866	4.4119	3.6866	2.4235	2.4235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.471	Si1	Si2	H7	110.471
Si1	Si2	H8	110.471	Si2	Si1	H3	110.471
Si2	Si1	H4	110.471	Si2	Si1	H5	110.471
H3	Si1	H4	108.453	H3	Si1	H5	108.453
H4	Si1	H5	108.453	H6	Si2	H7	108.453
H6	Si2	H8	108.453	H7	Si2	H8	108.453

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: BLYP/aug-cc-pVTZ

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	0.656
2	Si	0.656
3	H	-0.219
4	H	-0.219
5	H	-0.219
6	H	-0.219
7	H	-0.219
8	H	-0.219

<r²>	88.388
(<r²>)^1/2	9.401

All results from a given calculation for Si2H6 (disilane)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)