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	hartrees
Energy at 0K	-582.637314
Energy at 298.15K	-582.643172
HF Energy	-582.637314
Nuclear repulsion energy	91.085773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2230	2135	0.00
2	A_1g	917	878	0.00
3	A_1g	434	416	0.00
4	A_1u	146	140	0.00
5	A_2u	2222	2128	109.35
6	A_2u	843	807	490.66
7	E_g	2231	2136	0.00
7	E_g	2231	2136	0.00
8	E_g	938	898	0.00
8	E_g	938	898	0.00
9	E_g	630	603	0.00
9	E_g	630	603	0.00
10	E_u	2241	2145	182.42
10	E_u	2241	2145	182.45
11	E_u	952	911	78.70
11	E_u	952	911	78.71
12	E_u	375	359	18.73
12	E_u	375	359	18.73

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.166
Si2	0.000	0.000	-1.166
H3	0.000	1.389	1.681
H4	-1.203	-0.694	1.681
H5	1.203	-0.694	1.681
H6	0.000	-1.389	-1.681
H7	-1.203	0.694	-1.681
H8	1.203	0.694	-1.681

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3316	1.4812	1.4812	1.4812	3.1675	3.1675	3.1675
Si2	2.3316		3.1675	3.1675	3.1675	1.4812	1.4812	1.4812
H3	1.4812	3.1675		2.4052	2.4052	4.3609	3.6376	3.6376
H4	1.4812	3.1675	2.4052		2.4052	3.6376	3.6376	4.3609
H5	1.4812	3.1675	2.4052	2.4052		3.6376	4.3609	3.6376
H6	3.1675	1.4812	4.3609	3.6376	3.6376		2.4052	2.4052
H7	3.1675	1.4812	3.6376	3.6376	4.3609	2.4052		2.4052
H8	3.1675	1.4812	3.6376	4.3609	3.6376	2.4052	2.4052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.359	Si1	Si2	H7	110.359
Si1	Si2	H8	110.359	Si2	Si1	H3	110.359
Si2	Si1	H4	110.359	Si2	Si1	H5	110.359
H3	Si1	H4	108.569	H3	Si1	H5	108.569
H4	Si1	H5	108.569	H6	Si2	H7	108.569
H6	Si2	H8	108.569	H7	Si2	H8	108.569

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B1B95/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	0.090
2	Si	0.090
3	H	-0.030
4	H	-0.030
5	H	-0.030
6	H	-0.030
7	H	-0.030
8	H	-0.030

<r²>	86.198
(<r²>)^1/2	9.284

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B1B95/cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₂H₆ (disilane)