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	hartrees
Energy at 0K	-582.572663
Energy at 298.15K	-582.578504
HF Energy	-582.572663
Nuclear repulsion energy	90.618747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2226	2125	0.00
2	A_1g	918	877	0.00
3	A_1g	431	412	0.00
4	A_1u	143	137	0.00
5	A_2u	2218	2118	113.59
6	A_2u	845	807	463.76
7	E_g	2229	2128	0.00
7	E_g	2229	2128	0.00
8	E_g	939	896	0.00
8	E_g	939	896	0.00
9	E_g	633	605	0.00
9	E_g	633	605	0.00
10	E_u	2238	2137	180.44
10	E_u	2238	2137	180.46
11	E_u	952	909	73.36
11	E_u	952	909	73.37
12	E_u	376	359	16.14
12	E_u	376	359	16.14

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.173
Si2	0.000	0.000	-1.173
H3	0.000	1.394	1.691
H4	-1.207	-0.697	1.691
H5	1.207	-0.697	1.691
H6	0.000	-1.394	-1.691
H7	-1.207	0.697	-1.691
H8	1.207	0.697	-1.691

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3456	1.4868	1.4868	1.4868	3.1846	3.1846	3.1846
Si2	2.3456		3.1846	3.1846	3.1846	1.4868	1.4868	1.4868
H3	1.4868	3.1846		2.4140	2.4140	4.3821	3.6572	3.6572
H4	1.4868	3.1846	2.4140		2.4140	3.6572	3.6572	4.3821
H5	1.4868	3.1846	2.4140	2.4140		3.6572	4.3821	3.6572
H6	3.1846	1.4868	4.3821	3.6572	3.6572		2.4140	2.4140
H7	3.1846	1.4868	3.6572	3.6572	4.3821	2.4140		2.4140
H8	3.1846	1.4868	3.6572	4.3821	3.6572	2.4140	2.4140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.381	Si1	Si2	H7	110.381
Si1	Si2	H8	110.381	Si2	Si1	H3	110.381
Si2	Si1	H4	110.381	Si2	Si1	H5	110.381
H3	Si1	H4	108.546	H3	Si1	H5	108.546
H4	Si1	H5	108.546	H6	Si2	H7	108.546
H6	Si2	H8	108.546	H7	Si2	H8	108.546

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.098
2	Si	-0.098
3	H	0.033
4	H	0.033
5	H	0.033
6	H	0.033
7	H	0.033
8	H	0.033

<r²>	86.660
(<r²>)^1/2	9.309

All results from a given calculation for Si2H6 (disilane)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for Si₂H₆ (disilane)