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	hartrees
Energy at 0K	-582.638359
Energy at 298.15K	-582.644214
HF Energy	-582.638359
Nuclear repulsion energy	90.410442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2219	2145	0.00
2	A_1g	928	897	0.00
3	A_1g	423	409	0.00
4	A_1u	135	131	0.00
5	A_2u	2210	2137	121.90
6	A_2u	855	826	544.97
7	E_g	2220	2146	0.00
7	E_g	2220	2146	0.00
8	E_g	946	914	0.00
8	E_g	946	914	0.00
9	E_g	637	616	0.00
9	E_g	637	616	0.00
10	E_u	2230	2156	208.39
10	E_u	2230	2156	208.42
11	E_u	960	928	91.97
11	E_u	960	928	91.97
12	E_u	381	368	26.55
12	E_u	381	368	26.55

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.177
Si2	0.000	0.000	-1.177
H3	0.000	1.394	1.695
H4	-1.207	-0.697	1.695
H5	1.207	-0.697	1.695
H6	0.000	-1.394	-1.695
H7	-1.207	0.697	-1.695
H8	1.207	0.697	-1.695

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3546	1.4870	1.4870	1.4870	3.1925	3.1925	3.1925
Si2	2.3546		3.1925	3.1925	3.1925	1.4870	1.4870	1.4870
H3	1.4870	3.1925		2.4144	2.4144	4.3889	3.6652	3.6652
H4	1.4870	3.1925	2.4144		2.4144	3.6652	3.6652	4.3889
H5	1.4870	3.1925	2.4144	2.4144		3.6652	4.3889	3.6652
H6	3.1925	1.4870	4.3889	3.6652	3.6652		2.4144	2.4144
H7	3.1925	1.4870	3.6652	3.6652	4.3889	2.4144		2.4144
H8	3.1925	1.4870	3.6652	4.3889	3.6652	2.4144	2.4144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.370	Si1	Si2	H7	110.370
Si1	Si2	H8	110.370	Si2	Si1	H3	110.370
Si2	Si1	H4	110.370	Si2	Si1	H5	110.370
H3	Si1	H4	108.558	H3	Si1	H5	108.558
H4	Si1	H5	108.558	H6	Si2	H7	108.558
H6	Si2	H8	108.558	H7	Si2	H8	108.558

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B3LYP/6-311G**

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	0.342
2	Si	0.342
3	H	-0.114
4	H	-0.114
5	H	-0.114
6	H	-0.114
7	H	-0.114
8	H	-0.114

	x	y	z
x	7.525	0.000	0.000
y	0.000	7.525	-0.000
z	0.000	-0.000	9.925

<r²>	87.605
(<r²>)^1/2	9.360

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for Si₂H₆ (disilane)