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	hartrees
Energy at 0K	-582.350621
Energy at 298.15K	-582.356508
HF Energy	-582.262258
Nuclear repulsion energy	90.750146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2243	2243	0.00
2	A_1g	939	939	0.00
3	A_1g	432	432	0.00
4	A_1u	137	137	0.00
5	A_2u	2235	2235	116.89
6	A_2u	865	865	529.90
7	E_g	2243	2243	0.00
7	E_g	2243	2243	0.00
8	E_g	957	957	0.00
8	E_g	957	957	0.00
9	E_g	639	639	0.00
9	E_g	639	639	0.00
10	E_u	2252	2252	195.93
10	E_u	2252	2252	195.94
11	E_u	971	971	88.11
11	E_u	971	971	88.11
12	E_u	374	374	21.57
12	E_u	374	374	21.56

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.174
Si2	0.000	0.000	-1.174
H3	0.000	1.388	1.688
H4	-1.202	-0.694	1.688
H5	1.202	-0.694	1.688
H6	0.000	-1.388	-1.688
H7	-1.202	0.694	-1.688
H8	1.202	0.694	-1.688

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3471	1.4802	1.4802	1.4802	3.1805	3.1805	3.1805
Si2	2.3471		3.1805	3.1805	3.1805	1.4802	1.4802	1.4802
H3	1.4802	3.1805		2.4038	2.4038	4.3709	3.6505	3.6505
H4	1.4802	3.1805	2.4038		2.4038	3.6505	3.6505	4.3709
H5	1.4802	3.1805	2.4038	2.4038		3.6505	4.3709	3.6505
H6	3.1805	1.4802	4.3709	3.6505	3.6505		2.4038	2.4038
H7	3.1805	1.4802	3.6505	3.6505	4.3709	2.4038		2.4038
H8	3.1805	1.4802	3.6505	4.3709	3.6505	2.4038	2.4038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.346	Si1	Si2	H7	110.346
Si1	Si2	H8	110.346	Si2	Si1	H3	110.346
Si2	Si1	H4	110.346	Si2	Si1	H5	110.346
H3	Si1	H4	108.582	H3	Si1	H5	108.582
H4	Si1	H5	108.582	H6	Si2	H7	108.582
H6	Si2	H8	108.582	H7	Si2	H8	108.582

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B2PLYP/cc-pCVTZ

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	0.100
2	Si	0.100
3	H	-0.033
4	H	-0.033
5	H	-0.033
6	H	-0.033
7	H	-0.033
8	H	-0.033

<r²>	87.116
(<r²>)^1/2	9.334

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B2PLYP/cc-pCVTZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)