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	hartrees
Energy at 0K	-582.369229
Energy at 298.15K	-582.375023
HF Energy	-582.369229
Nuclear repulsion energy	90.751477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2213	2213	0.00
2	A_1g	910	910	0.00
3	A_1g	431	431	0.00
4	A_1u	140	140	0.00
5	A_2u	2206	2206	104.62
6	A_2u	837	837	473.74
7	E_g	2216	2216	0.00
7	E_g	2216	2216	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	2226	2226	172.84
10	E_u	2226	2226	172.89
11	E_u	947	947	76.00
11	E_u	947	947	76.03
12	E_u	364	364	17.77
12	E_u	364	364	17.78

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	1.686
H4	-1.208	-0.697	1.686
H5	1.208	-0.697	1.686
H6	0.000	-1.394	-1.686
H7	-1.208	0.697	-1.686
H8	1.208	0.697	-1.686

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3400	1.4869	1.4869	1.4869	3.1785	3.1785	3.1785
Si2	2.3400		3.1785	3.1785	3.1785	1.4869	1.4869	1.4869
H3	1.4869	3.1785		2.4151	2.4151	4.3762	3.6494	3.6494
H4	1.4869	3.1785	2.4151		2.4151	3.6494	3.6494	4.3762
H5	1.4869	3.1785	2.4151	2.4151		3.6494	4.3762	3.6494
H6	3.1785	1.4869	4.3762	3.6494	3.6494		2.4151	2.4151
H7	3.1785	1.4869	3.6494	3.6494	4.3762	2.4151		2.4151
H8	3.1785	1.4869	3.6494	4.3762	3.6494	2.4151	2.4151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.316	Si1	Si2	H7	110.316
Si1	Si2	H8	110.316	Si2	Si1	H3	110.316
Si2	Si1	H4	110.316	Si2	Si1	H5	110.316
H3	Si1	H4	108.614	H3	Si1	H5	108.614
H4	Si1	H5	108.614	H6	Si2	H7	108.614
H6	Si2	H8	108.614	H7	Si2	H8	108.614

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: HSEh1PBE/Def2TZVPP

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	0.119
2	Si	0.119
3	H	-0.040
4	H	-0.040
5	H	-0.040
6	H	-0.040
7	H	-0.040
8	H	-0.040

<r²>	86.701
(<r²>)^1/2	9.311

All results from a given calculation for Si2H6 (disilane)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for Si₂H₆ (disilane)