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	hartrees
Energy at 0K	-582.378616
Energy at 298.15K	-582.384728
HF Energy	-582.378616
Nuclear repulsion energy	90.742459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2210	2210	0.00
2	A_1g	909	909	0.00
3	A_1g	431	431	0.00
4	A_1u	138	138	0.00
5	A_2u	2202	2202	103.09
6	A_2u	836	836	470.41
7	E_g	2212	2212	0.00
7	E_g	2212	2212	0.00
8	E_g	933	933	0.00
8	E_g	933	933	0.00
9	E_g	626	626	0.00
9	E_g	626	626	0.00
10	E_u	2222	2222	174.00
10	E_u	2222	2222	174.06
11	E_u	946	946	74.99
11	E_u	946	946	75.04
12	E_u	365	365	18.35
12	E_u	365	365	18.35

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.170
Si2	0.000	0.000	-1.170
H3	0.000	1.394	1.687
H4	-1.207	-0.697	1.687
H5	1.207	-0.697	1.687
H6	0.000	-1.394	-1.687
H7	-1.207	0.697	-1.687
H8	1.207	0.697	-1.687

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3406	1.4867	1.4867	1.4867	3.1790	3.1790	3.1790
Si2	2.3406		3.1790	3.1790	3.1790	1.4867	1.4867	1.4867
H3	1.4867	3.1790		2.4147	2.4147	4.3766	3.6503	3.6503
H4	1.4867	3.1790	2.4147		2.4147	3.6503	3.6503	4.3766
H5	1.4867	3.1790	2.4147	2.4147		3.6503	4.3766	3.6503
H6	3.1790	1.4867	4.3766	3.6503	3.6503		2.4147	2.4147
H7	3.1790	1.4867	3.6503	3.6503	4.3766	2.4147		2.4147
H8	3.1790	1.4867	3.6503	4.3766	3.6503	2.4147	2.4147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.329	Si1	Si2	H7	110.329
Si1	Si2	H8	110.329	Si2	Si1	H3	110.329
Si2	Si1	H4	110.329	Si2	Si1	H5	110.329
H3	Si1	H4	108.600	H3	Si1	H5	108.600
H4	Si1	H5	108.600	H6	Si2	H7	108.600
H6	Si2	H8	108.600	H7	Si2	H8	108.600

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

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	0.537
2	Si	0.537
3	H	-0.179
4	H	-0.179
5	H	-0.179
6	H	-0.179
7	H	-0.179
8	H	-0.179

<r²>	86.720
(<r²>)^1/2	9.312

All results from a given calculation for Si2H6 (disilane)

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₂H₆ (disilane)