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	hartrees
Energy at 0K	-579.153065
Energy at 298.15K	-579.158764
HF Energy	-579.153065
Nuclear repulsion energy	89.518515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2130	2111	0.00
2	A_1g	844	836	0.00
3	A_1g	401	397	0.00
4	A_1u	134	133	0.00
5	A_2u	2123	2103	106.98
6	A_2u	788	781	363.81
7	E_g	2145	2125	0.00
7	E_g	2145	2125	0.00
8	E_g	899	891	0.00
8	E_g	899	891	0.00
9	E_g	604	599	0.00
9	E_g	604	599	0.00
10	E_u	2156	2136	169.27
10	E_u	2156	2136	169.30
11	E_u	905	897	60.40
11	E_u	905	897	60.39
12	E_u	383	379	13.93
12	E_u	383	379	13.93

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.184
Si2	0.000	0.000	-1.184
H3	0.000	1.417	1.709
H4	-1.227	-0.708	1.709
H5	1.227	-0.708	1.709
H6	0.000	-1.417	-1.709
H7	-1.227	0.708	-1.709
H8	1.227	0.708	-1.709

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3687	1.5108	1.5108	1.5108	3.2214	3.2214	3.2214
Si2	2.3687		3.2214	3.2214	3.2214	1.5108	1.5108	1.5108
H3	1.5108	3.2214		2.4540	2.4540	4.4396	3.6997	3.6997
H4	1.5108	3.2214	2.4540		2.4540	3.6997	3.6997	4.4396
H5	1.5108	3.2214	2.4540	2.4540		3.6997	4.4396	3.6997
H6	3.2214	1.5108	4.4396	3.6997	3.6997		2.4540	2.4540
H7	3.2214	1.5108	3.6997	3.6997	4.4396	2.4540		2.4540
H8	3.2214	1.5108	3.6997	4.4396	3.6997	2.4540	2.4540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.314	Si1	Si2	H7	110.314
Si1	Si2	H8	110.314	Si2	Si1	H3	110.314
Si2	Si1	H4	110.314	Si2	Si1	H5	110.314
H3	Si1	H4	108.616	H3	Si1	H5	108.616
H4	Si1	H5	108.616	H6	Si2	H7	108.616
H6	Si2	H8	108.616	H7	Si2	H8	108.616

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: PBEPBE/3-21G

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	0.144
2	Si	0.144
3	H	-0.048
4	H	-0.048
5	H	-0.048
6	H	-0.048
7	H	-0.048
8	H	-0.048

	x	y	z
x	6.549	0.000	0.000
y	0.000	6.548	-0.000
z	0.000	-0.000	9.532

<r²>	88.982
(<r²>)^1/2	9.433

All results from a given calculation for Si2H6 (disilane)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for Si₂H₆ (disilane)