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	hartrees
Energy at 0K	-478.004928
Energy at 298.15K
HF Energy	-478.004928
Nuclear repulsion energy	109.275972

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	3048	3038	13.03	101.29	0.63	0.77
2	A₁	2958	2948	37.76	381.68	0.00	0.00
3	A₁	1449	1444	0.45	8.17	0.75	0.86
4	A₁	1322	1318	1.19	0.60	0.31	0.47
5	A₁	1019	1016	8.99	0.16	0.14	0.25
6	A₁	639	637	2.47	19.19	0.08	0.15
7	A₁	252	251	0.06	4.17	0.62	0.77
8	A₂	3028	3017	0.00	27.48	0.75	0.86
9	A₂	1428	1423	0.00	11.55	0.75	0.86
10	A₂	925	921	0.00	0.22	0.75	0.86
11	A₂	176	176	0.00	0.14	0.75	0.86
12	B₁	3019	3009	30.05	154.71	0.75	0.86
13	B₁	1436	1432	11.50	0.03	0.75	0.86
14	B₁	958	955	4.28	0.06	0.75	0.86
15	B₁	173	172	0.88	0.09	0.75	0.86
16	B₂	3049	3039	3.44	57.60	0.75	0.86
17	B₂	2961	2951	31.90	9.25	0.75	0.86
18	B₂	1443	1438	15.38	0.38	0.75	0.86
19	B₂	1299	1295	7.17	0.37	0.75	0.86
20	B₂	887	884	0.23	0.27	0.75	0.86
21	B₂	687	684	0.04	7.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.408	-0.519
C3	0.000	-1.408	-0.519
H4	0.000	2.323	0.081
H5	0.000	-2.323	0.081
H6	0.897	1.392	-1.147
H7	-0.897	1.392	-1.147
H8	-0.897	-1.392	-1.147
H9	0.897	-1.392	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8398	1.8398	2.3952	2.3952	2.4551	2.4551	2.4551	2.4551
C2	1.8398		2.8159	1.0941	3.7788	1.0954	1.0954	3.0066	3.0066
C3	1.8398	2.8159		3.7788	1.0941	3.0066	3.0066	1.0954	1.0954
H4	2.3952	1.0941	3.7788		4.6458	1.7832	1.7832	4.0142	4.0142
H5	2.3952	3.7788	1.0941	4.6458		4.0142	4.0142	1.7832	1.7832
H6	2.4551	1.0954	3.0066	1.7832	4.0142		1.7945	3.3123	2.7840
H7	2.4551	1.0954	3.0066	1.7832	4.0142	1.7945		2.7840	3.3123
H8	2.4551	3.0066	1.0954	4.0142	1.7832	3.3123	2.7840		1.7945
H9	2.4551	3.0066	1.0954	4.0142	1.7832	2.7840	3.3123	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.678	S1	C2	H6	110.976
S1	C2	H7	110.976	S1	C3	H5	106.678
S1	C3	H8	110.976	S1	C3	H9	110.976
C2	S1	C3	99.866	H4	C2	H6	109.064
H4	C2	H7	109.064	H5	C3	H8	109.064
H5	C3	H9	109.064	H6	C2	H7	109.995
H8	C3	H9	109.995

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	S	0.032
2	C	-0.543
3	C	-0.543
4	H	0.161
5	H	0.161
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	78.399
(<r²>)^1/2	8.854

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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