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	hartrees
Energy at 0K	-582.542730
Energy at 298.15K	-582.548756
HF Energy	-582.542730
Nuclear repulsion energy	91.102065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2230	2230	0.00
2	A_1g	920	920	0.00
3	A_1g	435	435	0.00
4	A_1u	126	126	0.00
5	A_2u	2221	2221	113.73
6	A_2u	839	839	524.55
7	E_g	2228	2228	0.00
7	E_g	2228	2228	0.00
8	E_g	951	951	0.00
8	E_g	951	951	0.00
9	E_g	622	622	0.00
9	E_g	621	621	0.00
10	E_u	2237	2237	179.36
10	E_u	2237	2237	180.36
11	E_u	965	965	82.47
11	E_u	965	965	82.56
12	E_u	329	329	19.23
12	E_u	328	328	19.96

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.168
Si2	0.000	0.000	-1.168
H3	0.000	1.386	1.679
H4	-1.200	-0.693	1.679
H5	1.200	-0.693	1.679
H6	0.000	-1.386	-1.679
H7	-1.200	0.693	-1.679
H8	1.200	0.693	-1.679

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3357	1.4770	1.4770	1.4770	3.1663	3.1663	3.1663
Si2	2.3357		3.1663	3.1663	3.1663	1.4770	1.4770	1.4770
H3	1.4770	3.1663		2.4000	2.4000	4.3542	3.6330	3.6330
H4	1.4770	3.1663	2.4000		2.4000	3.6330	3.6330	4.3542
H5	1.4770	3.1663	2.4000	2.4000		3.6330	4.3542	3.6330
H6	3.1663	1.4770	4.3542	3.6330	3.6330		2.4000	2.4000
H7	3.1663	1.4770	3.6330	3.6330	4.3542	2.4000		2.4000
H8	3.1663	1.4770	3.6330	4.3542	3.6330	2.4000	2.4000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.256	Si1	Si2	H7	110.256
Si1	Si2	H8	110.256	Si2	Si1	H3	110.256
Si2	Si1	H4	110.256	Si2	Si1	H5	110.256
H3	Si1	H4	108.675	H3	Si1	H5	108.675
H4	Si1	H5	108.675	H6	Si2	H7	108.675
H6	Si2	H8	108.675	H7	Si2	H8	108.675

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: M06-2X/aug-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	0.458
2	Si	0.458
3	H	-0.153
4	H	-0.153
5	H	-0.153
6	H	-0.153
7	H	-0.153
8	H	-0.153

	x	y	z
x	8.176	0.000	0.000
y	0.000	8.172	0.015
z	0.000	0.015	11.014

<r²>	86.264
(<r²>)^1/2	9.288

All results from a given calculation for Si2H6 (disilane)

using model chemistry: M06-2X/aug-cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₂H₆ (disilane)