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	hartrees
Energy at 0K	-582.281355
Energy at 298.15K	-582.287053
HF Energy	-582.281355
Nuclear repulsion energy	90.339413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2149	2133	0.00
2	A_1g	874	867	0.00
3	A_1g	419	416	0.00
4	A_1u	136	135	0.00
5	A_2u	2143	2127	94.47
6	A_2u	804	798	430.43
7	E_g	2156	2140	0.00
7	E_g	2156	2140	0.00
8	E_g	901	894	0.00
8	E_g	901	894	0.00
9	E_g	604	599	0.00
9	E_g	604	599	0.00
10	E_u	2166	2150	153.67
10	E_u	2166	2150	153.72
11	E_u	914	908	65.76
11	E_u	914	908	65.78
12	E_u	355	353	14.97
12	E_u	355	353	14.97

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.174
Si2	0.000	0.000	-1.174
H3	0.000	1.402	1.696
H4	-1.214	-0.701	1.696
H5	1.214	-0.701	1.696
H6	0.000	-1.402	-1.696
H7	-1.214	0.701	-1.696
H8	1.214	0.701	-1.696

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3477	1.4962	1.4962	1.4962	3.1938	3.1938	3.1938
Si2	2.3477		3.1938	3.1938	3.1938	1.4962	1.4962	1.4962
H3	1.4962	3.1938		2.4288	2.4288	4.4006	3.6697	3.6697
H4	1.4962	3.1938	2.4288		2.4288	3.6697	3.6697	4.4006
H5	1.4962	3.1938	2.4288	2.4288		3.6697	4.4006	3.6697
H6	3.1938	1.4962	4.4006	3.6697	3.6697		2.4288	2.4288
H7	3.1938	1.4962	3.6697	3.6697	4.4006	2.4288		2.4288
H8	3.1938	1.4962	3.6697	4.4006	3.6697	2.4288	2.4288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.409	Si1	Si2	H7	110.409
Si1	Si2	H8	110.409	Si2	Si1	H3	110.409
Si2	Si1	H4	110.409	Si2	Si1	H5	110.409
H3	Si1	H4	108.517	H3	Si1	H5	108.517
H4	Si1	H5	108.517	H6	Si2	H7	108.517
H6	Si2	H8	108.517	H7	Si2	H8	108.517

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: PBEPBE/cc-pV(T+d)Z

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	0.130
2	Si	0.130
3	H	-0.043
4	H	-0.043
5	H	-0.043
6	H	-0.043
7	H	-0.043
8	H	-0.043

<r²>	87.352
(<r²>)^1/2	9.346

All results from a given calculation for Si2H6 (disilane)

using model chemistry: PBEPBE/cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₂H₆ (disilane)