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	hartrees
Energy at 0K	-477.301125
Energy at 298.15K
HF Energy	-476.754885
Nuclear repulsion energy	110.862928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3038	7.09
2	A₁	3099	2935	20.15
3	A₁	1524	1443	0.09
4	A₁	1409	1335	1.18
5	A₁	1077	1020	13.35
6	A₁	728	689	2.66
7	A₁	270	256	0.08
8	A₂	3194	3025	0.00
9	A₂	1500	1421	0.00
10	A₂	979	927	0.00
11	A₂	186	177	0.00
12	B₁	3188	3020	17.38
13	B₁	1511	1431	12.64
14	B₁	1014	961	5.25
15	B₁	194	184	0.88
16	B₂	3207	3038	1.95
17	B₂	3102	2938	18.46
18	B₂	1516	1436	14.05
19	B₂	1385	1312	6.36
20	B₂	936	887	0.46
21	B₂	783	741	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.371	-0.516
C3	0.000	-1.371	-0.516
H4	0.000	2.298	0.058
H5	0.000	-2.298	0.058
H6	0.892	1.345	-1.143
H7	-0.892	1.345	-1.143
H8	-0.892	-1.345	-1.143
H9	0.892	-1.345	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8098	1.8098	2.3765	2.3765	2.4240	2.4240	2.4240	2.4240
C2	1.8098		2.7427	1.0898	3.7137	1.0908	1.0908	2.9274	2.9274
C3	1.8098	2.7427		3.7137	1.0898	2.9274	2.9274	1.0908	1.0908
H4	2.3765	1.0898	3.7137		4.5954	1.7737	1.7737	3.9384	3.9384
H5	2.3765	3.7137	1.0898	4.5954		3.9384	3.9384	1.7737	1.7737
H6	2.4240	1.0908	2.9274	1.7737	3.9384		1.7836	3.2281	2.6907
H7	2.4240	1.0908	2.9274	1.7737	3.9384	1.7836		2.6907	3.2281
H8	2.4240	2.9274	1.0908	3.9384	1.7737	3.2281	2.6907		1.7836
H9	2.4240	2.9274	1.0908	3.9384	1.7737	2.6907	3.2281	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.482	S1	C2	H6	110.938
S1	C2	H7	110.938	S1	C3	H5	107.482
S1	C3	H8	110.938	S1	C3	H9	110.938
C2	S1	C3	98.533	H4	C2	H6	108.864
H4	C2	H7	108.864	H5	C3	H8	108.864
H5	C3	H9	108.864	H6	C2	H7	109.684
H8	C3	H9	109.684

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: CCD/6-31G(2df,p)

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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All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)