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	hartrees
Energy at 0K	-575.922903
Energy at 298.15K	-575.929011
HF Energy	-575.922903
Nuclear repulsion energy	93.961308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2669	2669	0.00
2	A_1g	1104	1104	0.00
3	A_1g	556	556	0.00
4	A_1u	105	105	0.00
5	A_2u	2670	2670	19.18
6	A_2u	1020	1020	563.43
7	E_g	2719	2719	0.00
7	E_g	2719	2719	0.00
8	E_g	1138	1138	0.00
8	E_g	1138	1138	0.00
9	E_g	746	746	0.00
9	E_g	746	746	0.00
10	E_u	2725	2725	43.74
10	E_u	2725	2725	43.71
11	E_u	1145	1145	102.61
11	E_u	1145	1145	102.60
12	E_u	507	507	35.05
12	E_u	507	507	35.05

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.125
Si2	0.000	0.000	-1.125
H3	0.000	1.345	1.647
H4	-1.164	-0.672	1.647
H5	1.164	-0.672	1.647
H6	0.000	-1.345	-1.647
H7	-1.164	0.672	-1.647
H8	1.164	0.672	-1.647

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.2507	1.4422	1.4422	1.4422	3.0811	3.0811	3.0811
Si2	2.2507		3.0811	3.0811	3.0811	1.4422	1.4422	1.4422
H3	1.4422	3.0811		2.3289	2.3289	4.2521	3.5576	3.5576
H4	1.4422	3.0811	2.3289		2.3289	3.5576	3.5576	4.2521
H5	1.4422	3.0811	2.3289	2.3289		3.5576	4.2521	3.5576
H6	3.0811	1.4422	4.2521	3.5576	3.5576		2.3289	2.3289
H7	3.0811	1.4422	3.5576	3.5576	4.2521	2.3289		2.3289
H8	3.0811	1.4422	3.5576	4.2521	3.5576	2.3289	2.3289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	111.198	Si1	Si2	H7	111.198
Si1	Si2	H8	111.198	Si2	Si1	H3	111.198
Si2	Si1	H4	111.198	Si2	Si1	H5	111.198
H3	Si1	H4	107.690	H3	Si1	H5	107.690
H4	Si1	H5	107.690	H6	Si2	H7	107.690
H6	Si2	H8	107.690	H7	Si2	H8	107.690

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: TPSSh/STO-3G

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	0.384
2	Si	0.384
3	H	-0.128
4	H	-0.128
5	H	-0.128
6	H	-0.128
7	H	-0.128
8	H	-0.128

<r²>	80.062
(<r²>)^1/2	8.948

All results from a given calculation for Si2H6 (disilane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for Si₂H₆ (disilane)