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	hartrees
Energy at 0K	-478.031931
Energy at 298.15K
HF Energy	-478.031931
Nuclear repulsion energy	110.231709

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	3080	3080	14.88	102.94	0.63	0.78
2	A₁	2977	2977	42.20	381.52	0.00	0.00
3	A₁	1457	1457	0.31	8.19	0.75	0.86
4	A₁	1334	1334	0.96	0.77	0.30	0.46
5	A₁	1032	1032	8.94	0.12	0.26	0.41
6	A₁	664	664	2.79	17.54	0.08	0.15
7	A₁	262	262	0.07	3.78	0.63	0.77
8	A₂	3055	3055	0.00	25.19	0.75	0.86
9	A₂	1434	1434	0.00	11.31	0.75	0.86
10	A₂	937	937	0.00	0.17	0.75	0.86
11	A₂	181	181	0.00	0.13	0.75	0.86
12	B₁	3046	3046	35.24	153.54	0.75	0.86
13	B₁	1443	1443	11.84	0.06	0.75	0.86
14	B₁	972	972	4.36	0.08	0.75	0.86
15	B₁	183	183	0.87	0.06	0.75	0.86
16	B₂	3081	3081	4.73	54.95	0.75	0.86
17	B₂	2980	2980	35.81	9.35	0.75	0.86
18	B₂	1450	1450	15.34	0.31	0.75	0.86
19	B₂	1310	1310	6.70	0.41	0.75	0.86
20	B₂	900	900	0.24	0.22	0.75	0.86
21	B₂	712	712	0.07	6.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.387	-0.516
C3	0.000	-1.387	-0.516
H4	0.000	2.308	0.071
H5	0.000	-2.308	0.071
H6	0.895	1.364	-1.144
H7	-0.895	1.364	-1.144
H8	-0.895	-1.364	-1.144
H9	0.895	-1.364	-1.144

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8208	1.8208	2.3829	2.3829	2.4357	2.4357	2.4357	2.4357
C2	1.8208		2.7734	1.0923	3.7410	1.0940	1.0940	2.9602	2.9602
C3	1.8208	2.7734		3.7410	1.0923	2.9602	2.9602	1.0940	1.0940
H4	2.3829	1.0923	3.7410		4.6159	1.7804	1.7804	3.9702	3.9702
H5	2.3829	3.7410	1.0923	4.6159		3.9702	3.9702	1.7804	1.7804
H6	2.4357	1.0940	2.9602	1.7804	3.9702		1.7902	3.2630	2.7281
H7	2.4357	1.0940	2.9602	1.7804	3.9702	1.7902		2.7281	3.2630
H8	2.4357	2.9602	1.0940	3.9702	1.7804	3.2630	2.7281		1.7902
H9	2.4357	2.9602	1.0940	3.9702	1.7804	2.7281	3.2630	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.107	S1	C2	H6	110.892
S1	C2	H7	110.892	S1	C3	H5	107.107
S1	C3	H8	110.892	S1	C3	H9	110.892
C2	S1	C3	99.212	H4	C2	H6	109.038
H4	C2	H7	109.038	H5	C3	H8	109.038
H5	C3	H9	109.038	H6	C2	H7	109.802
H8	C3	H9	109.802

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

using model chemistry: B97D3/daug-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	-0.416
2	C	-0.354
3	C	-0.354
4	H	0.196
5	H	0.196
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	76.876
(<r²>)^1/2	8.768

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

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

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