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	hartrees
Energy at 0K	-477.429716
Energy at 298.15K
HF Energy	-476.803395
Nuclear repulsion energy	111.669694

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	3179	3024	7.11	87.73	0.67	0.80
2	A₁	3085	2936	28.52	342.24	0.00	0.00
3	A₁	1515	1441	0.59	7.15	0.75	0.86
4	A₁	1377	1310	0.26	1.18	0.08	0.15
5	A₁	1061	1009	9.29	0.27	0.12	0.22
6	A₁	733	697	2.33	19.28	0.07	0.13
7	A₁	267	254	0.03	2.90	0.65	0.79
8	A₂	3166	3012	0.00	16.28	0.75	0.86
9	A₂	1491	1418	0.00	9.77	0.75	0.86
10	A₂	967	920	0.00	0.05	0.75	0.86
11	A₂	180	171	0.00	0.09	0.75	0.86
12	B₁	3156	3003	15.71	115.61	0.75	0.86
13	B₁	1501	1428	14.44	0.02	0.75	0.86
14	B₁	1006	957	4.20	0.04	0.75	0.86
15	B₁	197	187	0.71	0.06	0.75	0.86
16	B₂	3180	3025	1.51	41.06	0.75	0.86
17	B₂	3091	2941	22.87	3.30	0.75	0.86
18	B₂	1505	1432	14.87	0.05	0.75	0.86
19	B₂	1352	1286	3.65	0.05	0.75	0.86
20	B₂	925	880	0.27	0.11	0.75	0.86
21	B₂	785	747	0.01	7.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.354	-0.516
C3	0.000	-1.354	-0.516
H4	0.000	2.281	0.048
H5	0.000	-2.281	0.048
H6	0.889	1.317	-1.138
H7	-0.889	1.317	-1.138
H8	-0.889	-1.317	-1.138
H9	0.889	-1.317	-1.138

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7976	1.7976	2.3635	2.3635	2.4044	2.4044	2.4044	2.4044
C2	1.7976		2.7080	1.0852	3.6787	1.0859	1.0859	2.8830	2.8830
C3	1.7976	2.7080		3.6787	1.0852	2.8830	2.8830	1.0859	1.0859
H4	2.3635	1.0852	3.6787		4.5623	1.7684	1.7684	3.8915	3.8915
H5	2.3635	3.6787	1.0852	4.5623		3.8915	3.8915	1.7684	1.7684
H6	2.4044	1.0859	2.8830	1.7684	3.8915		1.7786	3.1781	2.6338
H7	2.4044	1.0859	2.8830	1.7684	3.8915	1.7786		2.6338	3.1781
H8	2.4044	2.8830	1.0859	3.8915	1.7684	3.1781	2.6338		1.7786
H9	2.4044	2.8830	1.0859	3.8915	1.7684	2.6338	3.1781	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.558	S1	C2	H6	110.552
S1	C2	H7	110.552	S1	C3	H5	107.558
S1	C3	H8	110.552	S1	C3	H9	110.552
C2	S1	C3	97.741	H4	C2	H6	109.082
H4	C2	H7	109.082	H5	C3	H8	109.082
H5	C3	H9	109.082	H6	C2	H7	109.958
H8	C3	H9	109.958

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

using model chemistry: MP2=FULL/aug-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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All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

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