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	hartrees
Energy at 0K	-582.282218
Energy at 298.15K	-582.288221
HF Energy	-582.282218
Nuclear repulsion energy	90.333652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2149	2149	0.00
2	A_1g	871	871	0.00
3	A_1g	418	418	0.00
4	A_1u	135	135	0.00
5	A_2u	2143	2143	95.86
6	A_2u	802	802	430.78
7	E_g	2155	2155	0.00
7	E_g	2155	2155	0.00
8	E_g	901	901	0.00
8	E_g	901	901	0.00
9	E_g	603	603	0.00
9	E_g	603	603	0.00
10	E_u	2165	2165	157.12
10	E_u	2165	2165	157.17
11	E_u	914	914	65.35
11	E_u	914	914	65.36
12	E_u	352	352	15.89
12	E_u	352	352	15.89

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.174
Si2	0.000	0.000	-1.174
H3	0.000	1.402	1.696
H4	-1.214	-0.701	1.696
H5	1.214	-0.701	1.696
H6	0.000	-1.402	-1.696
H7	-1.214	0.701	-1.696
H8	1.214	0.701	-1.696

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3480	1.4961	1.4961	1.4961	3.1942	3.1942	3.1942
Si2	2.3480		3.1942	3.1942	3.1942	1.4961	1.4961	1.4961
H3	1.4961	3.1942		2.4284	2.4284	4.4011	3.6705	3.6705
H4	1.4961	3.1942	2.4284		2.4284	3.6705	3.6705	4.4011
H5	1.4961	3.1942	2.4284	2.4284		3.6705	4.4011	3.6705
H6	3.1942	1.4961	4.4011	3.6705	3.6705		2.4284	2.4284
H7	3.1942	1.4961	3.6705	3.6705	4.4011	2.4284		2.4284
H8	3.1942	1.4961	3.6705	4.4011	3.6705	2.4284	2.4284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.424	Si1	Si2	H7	110.424
Si1	Si2	H8	110.424	Si2	Si1	H3	110.424
Si2	Si1	H4	110.424	Si2	Si1	H5	110.424
H3	Si1	H4	108.502	H3	Si1	H5	108.502
H4	Si1	H5	108.502	H6	Si2	H7	108.502
H6	Si2	H8	108.502	H7	Si2	H8	108.502

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: PBEPBEultrafine/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	0.508
2	Si	0.508
3	H	-0.169
4	H	-0.169
5	H	-0.169
6	H	-0.169
7	H	-0.169
8	H	-0.169

<r²>	87.385
(<r²>)^1/2	9.348

All results from a given calculation for Si2H6 (disilane)

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

States and conformations

All results from a given calculation for Si₂H₆ (disilane)