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	hartrees
Energy at 0K	-477.705518
Energy at 298.15K
HF Energy	-477.705518
Nuclear repulsion energy	108.324672

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	3214	3073	8.04	98.34	0.70	0.82
2	A₁	3090	2953	26.70	240.55	0.00	0.00
3	A₁	1530	1462	1.91	33.57	0.75	0.85
4	A₁	1417	1355	0.67	2.41	0.22	0.36
5	A₁	1086	1038	27.32	11.21	0.62	0.77
6	A₁	674	644	3.21	23.96	0.18	0.30
7	A₁	251	240	0.10	2.79	0.64	0.78
8	A₂	3199	3058	0.00	12.52	0.75	0.86
9	A₂	1511	1444	0.00	46.46	0.75	0.86
10	A₂	988	944	0.00	11.76	0.75	0.86
11	A₂	164	157	0.00	0.10	0.75	0.86
12	B₁	3194	3053	28.21	115.13	0.75	0.86
13	B₁	1520	1453	31.15	0.01	0.75	0.86
14	B₁	1022	977	12.87	8.93	0.75	0.86
15	B₁	164	157	1.27	0.04	0.75	0.86
16	B₂	3215	3073	2.19	53.30	0.75	0.86
17	B₂	3092	2956	23.49	0.02	0.75	0.86
18	B₂	1520	1453	25.06	0.02	0.75	0.86
19	B₂	1392	1331	0.61	4.42	0.75	0.86
20	B₂	954	912	0.36	3.17	0.75	0.86
21	B₂	725	693	0.63	13.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.681
C2	0.000	1.418	-0.533
C3	0.000	-1.418	-0.533
H4	0.000	2.336	0.057
H5	0.000	-2.336	0.057
H6	0.896	1.387	-1.156
H7	-0.896	1.387	-1.156
H8	-0.896	-1.387	-1.156
H9	0.896	-1.387	-1.156

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8666	1.8666	2.4178	2.4178	2.4703	2.4703	2.4703	2.4703
C2	1.8666		2.8360	1.0910	3.7999	1.0921	1.0921	3.0099	3.0099
C3	1.8666	2.8360		3.7999	1.0910	3.0099	3.0099	1.0921	1.0921
H4	2.4178	1.0910	3.7999		4.6718	1.7820	1.7820	4.0168	4.0168
H5	2.4178	3.7999	1.0910	4.6718		4.0168	4.0168	1.7820	1.7820
H6	2.4703	1.0921	3.0099	1.7820	4.0168		1.7921	3.3024	2.7738
H7	2.4703	1.0921	3.0099	1.7820	4.0168	1.7921		2.7738	3.3024
H8	2.4703	3.0099	1.0921	4.0168	1.7820	3.3024	2.7738		1.7921
H9	2.4703	3.0099	1.0921	4.0168	1.7820	2.7738	3.3024	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.716	S1	C2	H6	110.467
S1	C2	H7	110.467	S1	C3	H5	106.716
S1	C3	H8	110.467	S1	C3	H9	110.467
C2	S1	C3	98.872	H4	C2	H6	109.424
H4	C2	H7	109.424	H5	C3	H8	109.424
H5	C3	H9	109.424	H6	C2	H7	110.269
H8	C3	H9	110.269

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

using model chemistry: PBE1PBE/6-31G

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	0.213
2	C	-0.718
3	C	-0.718
4	H	0.211
5	H	0.211
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.200

<r²>	78.972
(<r²>)^1/2	8.887

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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