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	hartrees
Energy at 0K	-582.599190
Energy at 298.15K	-582.604935
HF Energy	-582.599190
Nuclear repulsion energy	90.238904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2156	2123	0.00
2	A_1g	897	883	0.00
3	A_1g	415	409	0.00
4	A_1u	126	124	0.00
5	A_2u	2148	2115	117.07
6	A_2u	827	815	470.21
7	E_g	2162	2129	0.00
7	E_g	2162	2129	0.00
8	E_g	919	905	0.00
8	E_g	919	905	0.00
9	E_g	616	607	0.00
9	E_g	616	607	0.00
10	E_u	2172	2139	198.38
10	E_u	2172	2139	198.39
11	E_u	933	919	74.31
11	E_u	933	919	74.30
12	E_u	365	360	18.66
12	E_u	365	359	18.67

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.178
Si2	0.000	0.000	-1.178
H3	0.000	1.400	1.697
H4	-1.212	-0.700	1.697
H5	1.212	-0.700	1.697
H6	0.000	-1.400	-1.697
H7	-1.212	0.700	-1.697
H8	1.212	0.700	-1.697

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3554	1.4932	1.4932	1.4932	3.1976	3.1976	3.1976
Si2	2.3554		3.1976	3.1976	3.1976	1.4932	1.4932	1.4932
H3	1.4932	3.1976		2.4248	2.4248	4.4001	3.6717	3.6717
H4	1.4932	3.1976	2.4248		2.4248	3.6717	3.6717	4.4001
H5	1.4932	3.1976	2.4248	2.4248		3.6717	4.4001	3.6717
H6	3.1976	1.4932	4.4001	3.6717	3.6717		2.4248	2.4248
H7	3.1976	1.4932	3.6717	3.6717	4.4001	2.4248		2.4248
H8	3.1976	1.4932	3.6717	4.4001	3.6717	2.4248	2.4248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.356	Si1	Si2	H7	110.356
Si1	Si2	H8	110.356	Si2	Si1	H3	110.356
Si2	Si1	H4	110.356	Si2	Si1	H5	110.356
H3	Si1	H4	108.572	H3	Si1	H5	108.572
H4	Si1	H5	108.572	H6	Si2	H7	108.572
H6	Si2	H8	108.572	H7	Si2	H8	108.572

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B97D3/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	0.532
2	Si	0.532
3	H	-0.177
4	H	-0.177
5	H	-0.177
6	H	-0.177
7	H	-0.177
8	H	-0.177

	x	y	z
x	8.640	0.000	0.000
y	0.000	8.640	-0.000
z	0.000	-0.000	11.595

<r²>	87.664
(<r²>)^1/2	9.363

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)