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	hartrees
Energy at 0K	-582.584037
Energy at 298.15K	-582.589865
HF Energy	-582.584037
Nuclear repulsion energy	90.903927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2222	2128	0.00
2	A_1g	912	874	0.00
3	A_1g	433	415	0.00
4	A_1u	144	138	0.00
5	A_2u	2215	2121	111.40
6	A_2u	839	803	460.77
7	E_g	2225	2131	0.00
7	E_g	2225	2131	0.00
8	E_g	934	895	0.00
8	E_g	934	895	0.00
9	E_g	628	602	0.00
9	E_g	628	602	0.00
10	E_u	2234	2140	177.60
10	E_u	2234	2140	177.58
11	E_u	947	907	71.44
11	E_u	947	907	71.46
12	E_u	375	359	16.11
12	E_u	375	359	16.11

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.168
Si2	0.000	0.000	-1.168
H3	0.000	1.391	1.687
H4	-1.204	-0.695	1.687
H5	1.204	-0.695	1.687
H6	0.000	-1.391	-1.687
H7	-1.204	0.695	-1.687
H8	1.204	0.695	-1.687

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3357	1.4844	1.4844	1.4844	3.1752	3.1752	3.1752
Si2	2.3357		3.1752	3.1752	3.1752	1.4844	1.4844	1.4844
H3	1.4844	3.1752		2.4089	2.4089	4.3720	3.6486	3.6486
H4	1.4844	3.1752	2.4089		2.4089	3.6486	3.6486	4.3720
H5	1.4844	3.1752	2.4089	2.4089		3.6486	4.3720	3.6486
H6	3.1752	1.4844	4.3720	3.6486	3.6486		2.4089	2.4089
H7	3.1752	1.4844	3.6486	3.6486	4.3720	2.4089		2.4089
H8	3.1752	1.4844	3.6486	4.3720	3.6486	2.4089	2.4089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.454	Si1	Si2	H7	110.454
Si1	Si2	H8	110.454	Si2	Si1	H3	110.454
Si2	Si1	H4	110.454	Si2	Si1	H5	110.454
H3	Si1	H4	108.471	H3	Si1	H5	108.471
H4	Si1	H5	108.471	H6	Si2	H7	108.471
H6	Si2	H8	108.471	H7	Si2	H8	108.471

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.075
2	Si	-0.075
3	H	0.025
4	H	0.025
5	H	0.025
6	H	0.025
7	H	0.025
8	H	0.025

<r²>	86.185
(<r²>)^1/2	9.284

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for Si₂H₆ (disilane)