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	hartrees
Energy at 0K	-475.654948
Energy at 298.15K
HF Energy	-475.654948
Nuclear repulsion energy	110.298937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3019	8.93
2	A₁	3049	2926	26.50
3	A₁	1549	1486	1.19
4	A₁	1429	1371	0.07
5	A₁	1093	1049	25.41
6	A₁	693	665	3.24
7	A₁	265	255	0.11
8	A₂	3132	3005	0.00
9	A₂	1527	1465	0.00
10	A₂	991	951	0.00
11	A₂	191	183	0.00
12	B₁	3127	3000	27.92
13	B₁	1537	1475	27.85
14	B₁	1029	987	15.21
15	B₁	188	180	1.46
16	B₂	3148	3020	2.19
17	B₂	3052	2928	22.95
18	B₂	1538	1476	26.57
19	B₂	1406	1349	0.00
20	B₂	954	915	1.20
21	B₂	742	712	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.381	-0.517
C3	0.000	-1.381	-0.517
H4	0.000	2.309	0.065
H5	0.000	-2.309	0.065
H6	0.896	1.360	-1.147
H7	-0.896	1.360	-1.147
H8	-0.896	-1.360	-1.147
H9	0.896	-1.360	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8184	1.8184	2.3861	2.3861	2.4372	2.4372	2.4372	2.4372
C2	1.8184		2.7627	1.0949	3.7360	1.0955	1.0955	2.9522	2.9522
C3	1.8184	2.7627		3.7360	1.0949	2.9522	2.9522	1.0955	1.0955
H4	2.3861	1.0949	3.7360		4.6183	1.7808	1.7808	3.9667	3.9667
H5	2.3861	3.7360	1.0949	4.6183		3.9667	3.9667	1.7808	1.7808
H6	2.4372	1.0955	2.9522	1.7808	3.9667		1.7912	3.2571	2.7204
H7	2.4372	1.0955	2.9522	1.7808	3.9667	1.7912		2.7204	3.2571
H8	2.4372	2.9522	1.0955	3.9667	1.7808	3.2571	2.7204		1.7912
H9	2.4372	2.9522	1.0955	3.9667	1.7808	2.7204	3.2571	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.364	S1	C2	H6	111.081
S1	C2	H7	111.081	S1	C3	H5	107.364
S1	C3	H8	111.081	S1	C3	H9	111.081
C2	S1	C3	98.865	H4	C2	H6	108.782
H4	C2	H7	108.782	H5	C3	H8	108.782
H5	C3	H9	108.782	H6	C2	H7	109.670
H8	C3	H9	109.670

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

using model chemistry: B3PW91/3-21G*

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	0.171
2	C	-0.797
3	C	-0.797
4	H	0.245
5	H	0.245
6	H	0.233
7	H	0.233
8	H	0.233
9	H	0.233

<r²>	76.493
(<r²>)^1/2	8.746

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

using model chemistry: B3PW91/3-21G*

States and conformations

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