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	hartrees
Energy at 0K	-575.568127
Energy at 298.15K	-575.574271
HF Energy	-575.541472
Nuclear repulsion energy	93.987463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2695	2695	0.00
2	A_1g	1126	1126	0.00
3	A_1g	566	566	0.00
4	A_1u	99	99	0.00
5	A_2u	2696	2696	19.75
6	A_2u	1039	1039	609.98
7	E_g	2745	2745	0.00
7	E_g	2745	2745	0.00
8	E_g	1157	1157	0.00
8	E_g	1157	1157	0.00
9	E_g	756	756	0.00
9	E_g	756	756	0.00
10	E_u	2750	2750	44.35
10	E_u	2750	2750	44.35
11	E_u	1164	1164	114.76
11	E_u	1164	1164	114.75
12	E_u	515	515	40.12
12	E_u	515	515	40.12

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.126
Si2	0.000	0.000	-1.126
H3	0.000	1.343	1.645
H4	-1.163	-0.672	1.645
H5	1.163	-0.672	1.645
H6	0.000	-1.343	-1.645
H7	-1.163	0.672	-1.645
H8	1.163	0.672	-1.645

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.2524	1.4398	1.4398	1.4398	3.0796	3.0796	3.0796
Si2	2.2524		3.0796	3.0796	3.0796	1.4398	1.4398	1.4398
H3	1.4398	3.0796		2.3262	2.3262	4.2474	3.5538	3.5538
H4	1.4398	3.0796	2.3262		2.3262	3.5538	3.5538	4.2474
H5	1.4398	3.0796	2.3262	2.3262		3.5538	4.2474	3.5538
H6	3.0796	1.4398	4.2474	3.5538	3.5538		2.3262	2.3262
H7	3.0796	1.4398	3.5538	3.5538	4.2474	2.3262		2.3262
H8	3.0796	1.4398	3.5538	4.2474	3.5538	2.3262	2.3262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	111.126	Si1	Si2	H7	111.126
Si1	Si2	H8	111.126	Si2	Si1	H3	111.126
Si2	Si1	H4	111.126	Si2	Si1	H5	111.126
H3	Si1	H4	107.767	H3	Si1	H5	107.767
H4	Si1	H5	107.767	H6	Si2	H7	107.767
H6	Si2	H8	107.767	H7	Si2	H8	107.767

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B2PLYP/STO-3G

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	0.414
2	Si	0.414
3	H	-0.138
4	H	-0.138
5	H	-0.138
6	H	-0.138
7	H	-0.138
8	H	-0.138

<r²>	80.164
(<r²>)^1/2	8.953

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for Si₂H₆ (disilane)