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	hartrees
Energy at 0K	-477.958888
Energy at 298.15K
HF Energy	-477.958888
Nuclear repulsion energy	108.636456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3058	3052	13.89	104.62	0.64	0.78
2	A₁	2953	2947	38.06	377.47	0.00	0.00
3	A₁	1410	1407	0.34	8.70	0.75	0.86
4	A₁	1290	1287	1.39	0.61	0.55	0.71
5	A₁	1000	998	8.53	0.28	0.05	0.10
6	A₁	639	638	2.91	20.51	0.08	0.16
7	A₁	247	247	0.07	4.26	0.61	0.76
8	A₂	3036	3030	0.00	26.79	0.75	0.86
9	A₂	1390	1387	0.00	11.99	0.75	0.86
10	A₂	903	901	0.00	0.35	0.75	0.86
11	A₂	163	162	0.00	0.14	0.75	0.86
12	B₁	3028	3022	32.09	156.97	0.75	0.86
13	B₁	1399	1396	11.31	0.01	0.75	0.86
14	B₁	937	935	4.55	0.02	0.75	0.86
15	B₁	164	163	0.84	0.12	0.75	0.86
16	B₂	3059	3053	4.24	56.91	0.75	0.86
17	B₂	2956	2950	32.13	8.17	0.75	0.86
18	B₂	1401	1399	14.45	0.33	0.75	0.86
19	B₂	1264	1262	8.52	0.67	0.75	0.86
20	B₂	868	866	0.26	0.40	0.75	0.86
21	B₂	685	684	0.14	8.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.672
C2	0.000	1.412	-0.523
C3	0.000	-1.412	-0.523
H4	0.000	2.337	0.077
H5	0.000	-2.337	0.077
H6	0.905	1.393	-1.157
H7	-0.905	1.393	-1.157
H8	-0.905	-1.393	-1.157
H9	0.905	-1.393	-1.157

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8498	1.8498	2.4120	2.4120	2.4706	2.4706	2.4706	2.4706
C2	1.8498		2.8232	1.1035	3.7968	1.1048	1.1048	3.0142	3.0142
C3	1.8498	2.8232		3.7968	1.1035	3.0142	3.0142	1.1048	1.1048
H4	2.4120	1.1035	3.7968		4.6749	1.7981	1.7981	4.0320	4.0320
H5	2.4120	3.7968	1.1035	4.6749		4.0320	4.0320	1.7981	1.7981
H6	2.4706	1.1048	3.0142	1.7981	4.0320		1.8102	3.3224	2.7859
H7	2.4706	1.1048	3.0142	1.7981	4.0320	1.8102		2.7859	3.3224
H8	2.4706	3.0142	1.1048	4.0320	1.7981	3.3224	2.7859		1.8102
H9	2.4706	3.0142	1.1048	4.0320	1.7981	2.7859	3.3224	1.8102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.778	S1	C2	H6	110.954
S1	C2	H7	110.954	S1	C3	H5	106.778
S1	C3	H8	110.954	S1	C3	H9	110.954
C2	S1	C3	99.475	H4	C2	H6	109.026
H4	C2	H7	109.026	H5	C3	H8	109.026
H5	C3	H9	109.026	H6	C2	H7	110.014
H8	C3	H9	110.014

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

using model chemistry: BLYP/aug-cc-pVDZ

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	S	0.269
2	C	0.802
3	C	0.802
4	H	-0.355
5	H	-0.355
6	H	-0.291
7	H	-0.291
8	H	-0.291
9	H	-0.291

<r²>	79.083
(<r²>)^1/2	8.893

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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