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	hartrees
Energy at 0K	-582.548616
Energy at 298.15K	-582.554437
HF Energy	-582.548616
Nuclear repulsion energy	90.709925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2208	2128	0.00
2	A_1g	913	880	0.00
3	A_1g	429	413	0.00
4	A_1u	137	132	0.00
5	A_2u	2200	2121	107.43
6	A_2u	840	810	478.27
7	E_g	2210	2130	0.00
7	E_g	2210	2130	0.00
8	E_g	934	901	0.00
8	E_g	934	901	0.00
9	E_g	627	604	0.00
9	E_g	627	604	0.00
10	E_u	2220	2140	177.03
10	E_u	2220	2140	177.05
11	E_u	948	914	76.82
11	E_u	948	914	76.82
12	E_u	371	357	17.79
12	E_u	371	357	17.79

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.171
Si2	0.000	0.000	-1.171
H3	0.000	1.393	1.688
H4	-1.207	-0.697	1.688
H5	1.207	-0.697	1.688
H6	0.000	-1.393	-1.688
H7	-1.207	0.697	-1.688
H8	1.207	0.697	-1.688

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3425	1.4861	1.4861	1.4861	3.1810	3.1810	3.1810
Si2	2.3425		3.1810	3.1810	3.1810	1.4861	1.4861	1.4861
H3	1.4861	3.1810		2.4131	2.4131	4.3780	3.6529	3.6529
H4	1.4861	3.1810	2.4131		2.4131	3.6529	3.6529	4.3780
H5	1.4861	3.1810	2.4131	2.4131		3.6529	4.3780	3.6529
H6	3.1810	1.4861	4.3780	3.6529	3.6529		2.4131	2.4131
H7	3.1810	1.4861	3.6529	3.6529	4.3780	2.4131		2.4131
H8	3.1810	1.4861	3.6529	4.3780	3.6529	2.4131	2.4131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.365	Si1	Si2	H7	110.365
Si1	Si2	H8	110.365	Si2	Si1	H3	110.365
Si2	Si1	H4	110.365	Si2	Si1	H5	110.365
H3	Si1	H4	108.563	H3	Si1	H5	108.563
H4	Si1	H5	108.563	H6	Si2	H7	108.563
H6	Si2	H8	108.563	H7	Si2	H8	108.563

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: B3PW91/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	0.137
2	Si	0.137
3	H	-0.046
4	H	-0.046
5	H	-0.046
6	H	-0.046
7	H	-0.046
8	H	-0.046

<r²>	86.776
(<r²>)^1/2	9.315

All results from a given calculation for Si2H6 (disilane)

using model chemistry: B3PW91/cc-pV(T+d)Z

States and conformations

All results from a given calculation for Si₂H₆ (disilane)