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	hartrees
Energy at 0K	-474.601087
Energy at 298.15K
HF Energy	-474.347960
Nuclear repulsion energy	107.175401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3004	6.66
2	A₁	3130	2916	18.13
3	A₁	1588	1479	1.29
4	A₁	1454	1355	1.37
5	A₁	1095	1020	18.75
6	A₁	641	597	3.29
7	A₁	250	232	0.05
8	A₂	3219	2999	0.00
9	A₂	1570	1463	0.00
10	A₂	997	929	0.00
11	A₂	165	154	0.00
12	B₁	3216	2996	23.75
13	B₁	1580	1471	22.49
14	B₁	1026	956	7.61
15	B₁	164	153	0.90
16	B₂	3225	3005	2.84
17	B₂	3129	2915	18.06
18	B₂	1580	1472	17.29
19	B₂	1429	1331	5.54
20	B₂	971	904	0.16
21	B₂	688	641	1.69

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.698
C2	0.000	1.433	-0.548
C3	0.000	-1.433	-0.548
H4	0.000	2.351	0.038
H5	0.000	-2.351	0.038
H6	0.897	1.382	-1.165
H7	-0.897	1.382	-1.165
H8	-0.897	-1.382	-1.165
H9	0.897	-1.382	-1.165

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8990	1.8990	2.4419	2.4419	2.4867	2.4867	2.4867	2.4867
C2	1.8990		2.8660	1.0891	3.8291	1.0894	1.0894	3.0184	3.0184
C3	1.8990	2.8660		3.8291	1.0891	3.0184	3.0184	1.0894	1.0894
H4	2.4419	1.0891	3.8291		4.7020	1.7855	1.7855	4.0235	4.0235
H5	2.4419	3.8291	1.0891	4.7020		4.0235	4.0235	1.7855	1.7855
H6	2.4867	1.0894	3.0184	1.7855	4.0235		1.7940	3.2958	2.7648
H7	2.4867	1.0894	3.0184	1.7855	4.0235	1.7940		2.7648	3.2958
H8	2.4867	3.0184	1.0894	4.0235	1.7855	3.2958	2.7648		1.7940
H9	2.4867	3.0184	1.0894	4.0235	1.7855	2.7648	3.2958	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.435	S1	C2	H6	109.638
S1	C2	H7	109.638	S1	C3	H5	106.435
S1	C3	H8	109.638	S1	C3	H9	109.638
C2	S1	C3	97.980	H4	C2	H6	110.089
H4	C2	H7	110.089	H5	C3	H8	110.089
H5	C3	H9	110.089	H6	C2	H7	110.851
H8	C3	H9	110.851

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

using model chemistry: CID/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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All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: CID/3-21G

States and conformations

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