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	hartrees
Energy at 0K	-478.001928
Energy at 298.15K
HF Energy	-478.001928
Nuclear repulsion energy	109.579657

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	3049	3049	14.38	107.18	0.63	0.77
2	A₁	2955	2955	36.29	351.51	0.00	0.00
3	A₁	1451	1451	0.21	15.06	0.74	0.85
4	A₁	1327	1327	1.22	0.69	0.24	0.39
5	A₁	1021	1021	10.21	3.92	0.34	0.51
6	A₁	644	644	2.45	14.61	0.15	0.26
7	A₁	255	255	0.07	3.29	0.60	0.75
8	A₂	3026	3026	0.00	22.98	0.75	0.86
9	A₂	1428	1428	0.00	20.18	0.75	0.86
10	A₂	924	924	0.00	4.32	0.75	0.86
11	A₂	180	180	0.00	0.20	0.75	0.86
12	B₁	3019	3019	38.51	132.28	0.75	0.86
13	B₁	1436	1436	12.49	0.63	0.75	0.86
14	B₁	959	959	5.43	2.03	0.75	0.86
15	B₁	175	175	1.13	0.22	0.75	0.86
16	B₂	3050	3050	4.13	59.18	0.75	0.86
17	B₂	2958	2958	32.22	4.69	0.75	0.86
18	B₂	1444	1444	16.23	0.49	0.75	0.86
19	B₂	1304	1304	7.61	1.94	0.75	0.86
20	B₂	886	886	0.18	2.20	0.75	0.86
21	B₂	692	692	0.00	6.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.402	-0.516
C3	0.000	-1.402	-0.516
H4	0.000	2.318	0.084
H5	0.000	-2.318	0.084
H6	0.897	1.390	-1.146
H7	-0.897	1.390	-1.146
H8	-0.897	-1.390	-1.146
H9	0.897	-1.390	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8319	1.8319	2.3896	2.3896	2.4516	2.4516	2.4516	2.4516
C2	1.8319		2.8046	1.0948	3.7686	1.0962	1.0962	3.0002	3.0002
C3	1.8319	2.8046		3.7686	1.0948	3.0002	3.0002	1.0962	1.0962
H4	2.3896	1.0948	3.7686		4.6367	1.7826	1.7826	4.0090	4.0090
H5	2.3896	3.7686	1.0948	4.6367		4.0090	4.0090	1.7826	1.7826
H6	2.4516	1.0962	3.0002	1.7826	4.0090		1.7938	3.3093	2.7810
H7	2.4516	1.0962	3.0002	1.7826	4.0090	1.7938		2.7810	3.3093
H8	2.4516	3.0002	1.0962	4.0090	1.7826	3.3093	2.7810		1.7938
H9	2.4516	3.0002	1.0962	4.0090	1.7826	2.7810	3.3093	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.747	S1	C2	H6	111.203
S1	C2	H7	111.203	S1	C3	H5	106.747
S1	C3	H8	111.203	S1	C3	H9	111.203
C2	S1	C3	99.900	H4	C2	H6	108.895
H4	C2	H7	108.895	H5	C3	H8	108.895
H5	C3	H9	108.895	H6	C2	H7	109.802
H8	C3	H9	109.802

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	S	-0.112
2	C	-0.280
3	C	-0.280
4	H	0.116
5	H	0.116
6	H	0.110
7	H	0.110
8	H	0.110
9	H	0.110

<r²>	77.905
(<r²>)^1/2	8.826

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

using model chemistry: BLYP/Def2TZVPP

States and conformations

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