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	hartrees
Energy at 0K	-477.390881
Energy at 298.15K
HF Energy	-476.803460
Nuclear repulsion energy	110.975240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3028	9.81
2	A₁	3061	2929	28.11
3	A₁	1516	1450	0.74
4	A₁	1393	1333	0.47
5	A₁	1071	1025	9.28
6	A₁	722	691	2.10
7	A₁	267	256	0.03
8	A₂	3148	3013	0.00
9	A₂	1492	1428	0.00
10	A₂	976	934	0.00
11	A₂	181	173	0.00
12	B₁	3141	3006	21.21
13	B₁	1502	1437	13.06
14	B₁	1010	966	3.37
15	B₁	189	181	0.72
16	B₂	3165	3029	3.35
17	B₂	3064	2932	24.93
18	B₂	1508	1443	13.32
19	B₂	1370	1312	4.85
20	B₂	933	893	0.16
21	B₂	776	743	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.370	-0.516
C3	0.000	-1.370	-0.516
H4	0.000	2.295	0.057
H5	0.000	-2.295	0.057
H6	0.891	1.340	-1.141
H7	-0.891	1.340	-1.141
H8	-0.891	-1.340	-1.141
H9	0.891	-1.340	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8089	1.8089	2.3740	2.3740	2.4190	2.4190	2.4190	2.4190
C2	1.8089		2.7402	1.0881	3.7096	1.0893	1.0893	2.9203	2.9203
C3	1.8089	2.7402		3.7096	1.0881	2.9203	2.9203	1.0893	1.0893
H4	2.3740	1.0881	3.7096		4.5898	1.7730	1.7730	3.9295	3.9295
H5	2.3740	3.7096	1.0881	4.5898		3.9295	3.9295	1.7730	1.7730
H6	2.4190	1.0893	2.9203	1.7730	3.9295		1.7830	3.2183	2.6793
H7	2.4190	1.0893	2.9203	1.7730	3.9295	1.7830		2.6793	3.2183
H8	2.4190	2.9203	1.0893	3.9295	1.7730	3.2183	2.6793		1.7830
H9	2.4190	2.9203	1.0893	3.9295	1.7730	2.6793	3.2183	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.442	S1	C2	H6	110.705
S1	C2	H7	110.705	S1	C3	H5	107.442
S1	C3	H8	110.705	S1	C3	H9	110.705
C2	S1	C3	98.476	H4	C2	H6	109.035
H4	C2	H7	109.035	H5	C3	H8	109.035
H5	C3	H9	109.035	H6	C2	H7	109.857
H8	C3	H9	109.857

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

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

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

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