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	hartrees
Energy at 0K	-582.633697
Energy at 298.15K	-582.639545
HF Energy	-582.633697
Nuclear repulsion energy	90.940722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2228	2136	0.00
2	A_1g	913	875	0.00
3	A_1g	433	415	0.00
4	A_1u	146	140	0.00
5	A_2u	2220	2128	108.76
6	A_2u	838	803	482.47
7	E_g	2231	2139	0.00
7	E_g	2231	2139	0.00
8	E_g	935	896	0.00
8	E_g	935	896	0.00
9	E_g	627	601	0.00
9	E_g	627	601	0.00
10	E_u	2241	2148	184.67
10	E_u	2241	2148	184.71
11	E_u	948	909	76.23
11	E_u	948	909	76.24
12	E_u	374	359	19.22
12	E_u	374	358	19.21

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.167
Si2	0.000	0.000	-1.167
H3	0.000	1.391	1.684
H4	-1.205	-0.696	1.684
H5	1.205	-0.696	1.684
H6	0.000	-1.391	-1.684
H7	-1.205	0.696	-1.684
H8	1.205	0.696	-1.684

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3349	1.4839	1.4839	1.4839	3.1726	3.1726	3.1726
Si2	2.3349		3.1726	3.1726	3.1726	1.4839	1.4839	1.4839
H3	1.4839	3.1726		2.4095	2.4095	4.3684	3.6438	3.6438
H4	1.4839	3.1726	2.4095		2.4095	3.6438	3.6438	4.3684
H5	1.4839	3.1726	2.4095	2.4095		3.6438	4.3684	3.6438
H6	3.1726	1.4839	4.3684	3.6438	3.6438		2.4095	2.4095
H7	3.1726	1.4839	3.6438	3.6438	4.3684	2.4095		2.4095
H8	3.1726	1.4839	3.6438	4.3684	3.6438	2.4095	2.4095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.367	Si1	Si2	H7	110.367
Si1	Si2	H8	110.367	Si2	Si1	H3	110.367
Si2	Si1	H4	110.367	Si2	Si1	H5	110.367
H3	Si1	H4	108.560	H3	Si1	H5	108.560
H4	Si1	H5	108.560	H6	Si2	H7	108.560
H6	Si2	H8	108.560	H7	Si2	H8	108.560

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B1B95/aug-cc-pVTZ

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	0.367
2	Si	0.367
3	H	-0.122
4	H	-0.122
5	H	-0.122
6	H	-0.122
7	H	-0.122
8	H	-0.122

<r²>	86.400
(<r²>)^1/2	9.295

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)