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	hartrees
Energy at 0K	-582.647680
Energy at 298.15K	-582.653557
HF Energy	-582.647680
Nuclear repulsion energy	90.519514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_1g	2225	2154	0.00
2	A_1g	930	900	0.00
3	A_1g	426	412	0.00
4	A_1u	142	137	0.00
5	A_2u	2216	2146	110.58
6	A_2u	856	829	494.01
7	E_g	2226	2156	0.00
7	E_g	2226	2156	0.00
8	E_g	948	918	0.00
8	E_g	948	918	0.00
9	E_g	638	617	0.00
9	E_g	638	617	0.00
10	E_u	2236	2165	184.51
10	E_u	2236	2165	184.59
11	E_u	962	931	79.38
11	E_u	962	931	79.41
12	E_u	380	368	18.32
12	E_u	380	368	18.34

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	1.175
Si2	0.000	0.000	-1.175
H3	0.000	1.393	1.693
H4	-1.206	-0.696	1.693
H5	1.206	-0.696	1.693
H6	0.000	-1.393	-1.693
H7	-1.206	0.696	-1.693
H8	1.206	0.696	-1.693

	Si1	Si2	H3	H4	H5	H6	H7	H8
Si1		2.3506	1.4861	1.4861	1.4861	3.1890	3.1890	3.1890
Si2	2.3506		3.1890	3.1890	3.1890	1.4861	1.4861	1.4861
H3	1.4861	3.1890		2.4125	2.4125	4.3854	3.6621	3.6621
H4	1.4861	3.1890	2.4125		2.4125	3.6621	3.6621	4.3854
H5	1.4861	3.1890	2.4125	2.4125		3.6621	4.3854	3.6621
H6	3.1890	1.4861	4.3854	3.6621	3.6621		2.4125	2.4125
H7	3.1890	1.4861	3.6621	3.6621	4.3854	2.4125		2.4125
H8	3.1890	1.4861	3.6621	4.3854	3.6621	2.4125	2.4125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H6	110.407	Si1	Si2	H7	110.407
Si1	Si2	H8	110.407	Si2	Si1	H3	110.407
Si2	Si1	H4	110.407	Si2	Si1	H5	110.407
H3	Si1	H4	108.520	H3	Si1	H5	108.520
H4	Si1	H5	108.520	H6	Si2	H7	108.520
H6	Si2	H8	108.520	H7	Si2	H8	108.520

All results from a given calculation for Si₂H₆ (disilane)

using model chemistry: TPSSh/cc-pVTZ

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	0.153
2	Si	0.153
3	H	-0.051
4	H	-0.051
5	H	-0.051
6	H	-0.051
7	H	-0.051
8	H	-0.051

<r²>	87.154
(<r²>)^1/2	9.336

All results from a given calculation for Si2H6 (disilane)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for Si₂H₆ (disilane)