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	hartrees
Energy at 0K	-582.582731
Energy at 298.15K	-582.588548
HF Energy	-582.582731
Nuclear repulsion energy	90.436235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2238	2144	0.00
2	A_1g	930	891	0.00
3	A_1g	433	415	0.00
4	A_1u	130	124	0.00
5	A_2u	2228	2134	146.73
6	A_2u	855	819	528.26
7	E_g	2240	2146	0.00
7	E_g	2240	2146	0.00
8	E_g	943	903	0.00
8	E_g	943	903	0.00
9	E_g	638	611	0.00
9	E_g	638	611	0.00
10	E_u	2250	2156	271.68
10	E_u	2250	2156	271.70
11	E_u	957	917	89.23
11	E_u	957	917	89.23
12	E_u	380	364	22.27
12	E_u	380	364	22.27

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.175
Si2	0.000	0.000	-1.175
H3	0.000	1.394	1.699
H4	-1.207	-0.697	1.699
H5	1.207	-0.697	1.699
H6	0.000	-1.394	-1.699
H7	-1.207	0.697	-1.699
H8	1.207	0.697	-1.699

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3502	1.4892	1.4892	1.4892	3.1945	3.1945	3.1945
Si2	2.3502		3.1945	3.1945	3.1945	1.4892	1.4892	1.4892
H3	1.4892	3.1945		2.4143	2.4143	4.3956	3.6732	3.6732
H4	1.4892	3.1945	2.4143		2.4143	3.6732	3.6732	4.3956
H5	1.4892	3.1945	2.4143	2.4143		3.6732	4.3956	3.6732
H6	3.1945	1.4892	4.3956	3.6732	3.6732		2.4143	2.4143
H7	3.1945	1.4892	3.6732	3.6732	4.3956	2.4143		2.4143
H8	3.1945	1.4892	3.6732	4.3956	3.6732	2.4143	2.4143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.606	Si1	Si2	H7	110.606
Si1	Si2	H8	110.606	Si2	Si1	H3	110.606
Si2	Si1	H4	110.606	Si2	Si1	H5	110.606
H3	Si1	H4	108.313	H3	Si1	H5	108.313
H4	Si1	H5	108.313	H6	Si2	H7	108.313
H6	Si2	H8	108.313	H7	Si2	H8	108.313

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B3LYPultrafine/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	0.157
2	Si	0.157
3	H	-0.052
4	H	-0.052
5	H	-0.052
6	H	-0.052
7	H	-0.052
8	H	-0.052

	x	y	z
x	6.375	0.000	0.000
y	0.000	6.376	-0.000
z	0.000	-0.000	9.145

<r²>	87.217
(<r²>)^1/2	9.339

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for Si₂H₆ (disilane)