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	hartrees
Energy at 0K	-477.890294
Energy at 298.15K
HF Energy	-477.890294
Nuclear repulsion energy	107.958498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3066	9.82
2	A₁	3078	2948	27.96
3	A₁	1526	1462	1.78
4	A₁	1410	1351	1.06
5	A₁	1079	1033	26.74
6	A₁	658	631	3.19
7	A₁	249	238	0.12
8	A₂	3185	3050	0.00
9	A₂	1508	1444	0.00
10	A₂	981	939	0.00
11	A₂	161	154	0.00
12	B₁	3181	3046	32.44
13	B₁	1517	1453	29.00
14	B₁	1015	972	12.75
15	B₁	161	155	1.27
16	B₂	3201	3066	3.04
17	B₂	3080	2950	25.96
18	B₂	1517	1453	23.98
19	B₂	1385	1327	1.31
20	B₂	949	909	0.34
21	B₂	709	679	0.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.683
C2	0.000	1.426	-0.534
C3	0.000	-1.426	-0.534
H4	0.000	2.341	0.060
H5	0.000	-2.341	0.060
H6	0.897	1.396	-1.157
H7	-0.897	1.396	-1.157
H8	-0.897	-1.396	-1.157
H9	0.897	-1.396	-1.157

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8747	1.8747	2.4224	2.4224	2.4775	2.4775	2.4775	2.4775
C2	1.8747		2.8521	1.0912	3.8138	1.0923	1.0923	3.0261	3.0261
C3	1.8747	2.8521		3.8138	1.0912	3.0261	3.0261	1.0923	1.0923
H4	2.4224	1.0912	3.8138		4.6822	1.7830	1.7830	4.0315	4.0315
H5	2.4224	3.8138	1.0912	4.6822		4.0315	4.0315	1.7830	1.7830
H6	2.4775	1.0923	3.0261	1.7830	4.0315		1.7937	3.3188	2.7923
H7	2.4775	1.0923	3.0261	1.7830	4.0315	1.7937		2.7923	3.3188
H8	2.4775	3.0261	1.0923	4.0315	1.7830	3.3188	2.7923		1.7937
H9	2.4775	3.0261	1.0923	4.0315	1.7830	2.7923	3.3188	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.512	S1	C2	H6	110.445
S1	C2	H7	110.445	S1	C3	H5	106.512
S1	C3	H8	110.445	S1	C3	H9	110.445
C2	S1	C3	99.050	H4	C2	H6	109.487
H4	C2	H7	109.487	H5	C3	H8	109.487
H5	C3	H9	109.487	H6	C2	H7	110.382
H8	C3	H9	110.382

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

using model chemistry: B3PW91/6-31G

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	0.201
2	C	-0.697
3	C	-0.697
4	H	0.206
5	H	0.206
6	H	0.195
7	H	0.195
8	H	0.195
9	H	0.195

<r²>	79.407
(<r²>)^1/2	8.911

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

using model chemistry: B3PW91/6-31G

States and conformations

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