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	hartrees
Energy at 0K	-582.220646
Energy at 298.15K	-582.226336
HF Energy	-582.220646
Nuclear repulsion energy	90.174400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2168	2138	0.00
2	A_1g	876	864	0.00
3	A_1g	427	421	0.00
4	A_1u	132	130	0.00
5	A_2u	2161	2131	115.75
6	A_2u	806	795	423.30
7	E_g	2175	2145	0.00
7	E_g	2175	2145	0.00
8	E_g	904	891	0.00
8	E_g	904	891	0.00
9	E_g	609	601	0.00
9	E_g	609	601	0.00
10	E_u	2186	2156	208.93
10	E_u	2186	2156	208.98
11	E_u	917	905	65.29
11	E_u	917	905	65.30
12	E_u	359	354	15.07
12	E_u	359	354	15.07

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.175
Si2	0.000	0.000	-1.175
H3	0.000	1.405	1.702
H4	-1.217	-0.702	1.702
H5	1.217	-0.702	1.702
H6	0.000	-1.405	-1.702
H7	-1.217	0.702	-1.702
H8	1.217	0.702	-1.702

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3499	1.5004	1.5004	1.5004	3.2015	3.2015	3.2015
Si2	2.3499		3.2015	3.2015	3.2015	1.5004	1.5004	1.5004
H3	1.5004	3.2015		2.4332	2.4332	4.4136	3.6823	3.6823
H4	1.5004	3.2015	2.4332		2.4332	3.6823	3.6823	4.4136
H5	1.5004	3.2015	2.4332	2.4332		3.6823	4.4136	3.6823
H6	3.2015	1.5004	4.4136	3.6823	3.6823		2.4332	2.4332
H7	3.2015	1.5004	3.6823	3.6823	4.4136	2.4332		2.4332
H8	3.2015	1.5004	3.6823	4.4136	3.6823	2.4332	2.4332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.561	Si1	Si2	H7	110.561
Si1	Si2	H8	110.561	Si2	Si1	H3	110.561
Si2	Si1	H4	110.561	Si2	Si1	H5	110.561
H3	Si1	H4	108.360	H3	Si1	H5	108.360
H4	Si1	H5	108.360	H6	Si2	H7	108.360
H6	Si2	H8	108.360	H7	Si2	H8	108.360

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: PBEPBEultrafine/6-31G**

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	0.123
2	Si	0.123
3	H	-0.041
4	H	-0.041
5	H	-0.041
6	H	-0.041
7	H	-0.041
8	H	-0.041

	x	y	z
x	6.705	0.000	0.000
y	0.000	6.705	-0.000
z	0.000	-0.000	9.774

<r²>	87.308
(<r²>)^1/2	9.344

All results from a given calculation for Si2H6 (disilane)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for Si₂H₆ (disilane)