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	hartrees
Energy at 0K	-477.378180
Energy at 298.15K
HF Energy	-476.799225
Nuclear repulsion energy	111.215750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3189	9.88
2	A₁	3084	3084	28.01
3	A₁	1511	1511	0.55
4	A₁	1389	1389	0.48
5	A₁	1065	1065	9.70
6	A₁	722	722	2.29
7	A₁	266	266	0.02
8	A₂	3171	3171	0.00
9	A₂	1486	1486	0.00
10	A₂	967	967	0.00
11	A₂	178	178	0.00
12	B₁	3163	3163	25.90
13	B₁	1495	1495	14.22
14	B₁	1003	1003	4.08
15	B₁	187	187	0.95
16	B₂	3189	3189	3.45
17	B₂	3088	3088	23.34
18	B₂	1503	1503	14.40
19	B₂	1366	1366	4.65
20	B₂	923	923	0.13
21	B₂	777	777	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.367	-0.514
C3	0.000	-1.367	-0.514
H4	0.000	2.290	0.059
H5	0.000	-2.290	0.059
H6	0.889	1.340	-1.139
H7	-0.889	1.340	-1.139
H8	-0.889	-1.340	-1.139
H9	0.889	-1.340	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8044	1.8044	2.3679	2.3679	2.4155	2.4155	2.4155	2.4155
C2	1.8044		2.7346	1.0859	3.7015	1.0872	1.0872	2.9173	2.9173
C3	1.8044	2.7346		3.7015	1.0859	2.9173	2.9173	1.0872	1.0872
H4	2.3679	1.0859	3.7015		4.5791	1.7687	1.7687	3.9243	3.9243
H5	2.3679	3.7015	1.0859	4.5791		3.9243	3.9243	1.7687	1.7687
H6	2.4155	1.0872	2.9173	1.7687	3.9243		1.7784	3.2163	2.6799
H7	2.4155	1.0872	2.9173	1.7687	3.9243	1.7784		2.6799	3.2163
H8	2.4155	2.9173	1.0872	3.9243	1.7687	3.2163	2.6799		1.7784
H9	2.4155	2.9173	1.0872	3.9243	1.7687	2.6799	3.2163	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.401	S1	C2	H6	110.858
S1	C2	H7	110.858	S1	C3	H5	107.401
S1	C3	H8	110.858	S1	C3	H9	110.858
C2	S1	C3	98.536	H4	C2	H6	108.958
H4	C2	H7	108.958	H5	C3	H8	108.958
H5	C3	H9	108.958	H6	C2	H7	109.740
H8	C3	H9	109.740

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

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

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