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	hartrees
Energy at 0K	-582.533301
Energy at 298.15K	-582.539198
HF Energy	-582.533301
Nuclear repulsion energy	90.827247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2234	2119	0.00
2	A_1g	936	888	0.00
3	A_1g	450	427	0.00
4	A_1u	146	138	0.00
5	A_2u	2223	2109	156.91
6	A_2u	861	816	524.77
7	E_g	2230	2115	0.00
7	E_g	2230	2115	0.00
8	E_g	952	903	0.00
8	E_g	952	903	0.00
9	E_g	647	613	0.00
9	E_g	647	613	0.00
10	E_u	2240	2124	284.47
10	E_u	2240	2124	284.50
11	E_u	966	917	91.82
11	E_u	966	917	91.98
12	E_u	390	370	24.56
12	E_u	390	370	24.51

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.170
Si2	0.000	0.000	-1.170
H3	0.000	1.393	1.689
H4	-1.207	-0.697	1.689
H5	1.207	-0.697	1.689
H6	0.000	-1.393	-1.689
H7	-1.207	0.697	-1.689
H8	1.207	0.697	-1.689

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3391	1.4869	1.4869	1.4869	3.1801	3.1801	3.1801
Si2	2.3391		3.1801	3.1801	3.1801	1.4869	1.4869	1.4869
H3	1.4869	3.1801		2.4131	2.4131	4.3790	3.6541	3.6541
H4	1.4869	3.1801	2.4131		2.4131	3.6541	3.6541	4.3790
H5	1.4869	3.1801	2.4131	2.4131		3.6541	4.3790	3.6541
H6	3.1801	1.4869	4.3790	3.6541	3.6541		2.4131	2.4131
H7	3.1801	1.4869	3.6541	3.6541	4.3790	2.4131		2.4131
H8	3.1801	1.4869	3.6541	4.3790	3.6541	2.4131	2.4131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.449	Si1	Si2	H7	110.449
Si1	Si2	H8	110.449	Si2	Si1	H3	110.449
Si2	Si1	H4	110.449	Si2	Si1	H5	110.449
H3	Si1	H4	108.476	H3	Si1	H5	108.476
H4	Si1	H5	108.476	H6	Si2	H7	108.476
H6	Si2	H8	108.476	H7	Si2	H8	108.476

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: wB97X-D/6-31G*

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	0.167
2	Si	0.167
3	H	-0.056
4	H	-0.056
5	H	-0.056
6	H	-0.056
7	H	-0.056
8	H	-0.056

	x	y	z
x	6.361	0.000	0.000
y	0.000	6.366	-0.001
z	0.000	-0.001	8.860

<r²>	86.455
(<r²>)^1/2	9.298

All results from a given calculation for Si2H6 (disilane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for Si₂H₆ (disilane)