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	hartrees
Energy at 0K	-477.339762
Energy at 298.15K
HF Energy	-476.754936
Nuclear repulsion energy	111.203258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3204	3017	7.93
2	A₁	3100	2919	21.45
3	A₁	1534	1445	0.07
4	A₁	1411	1329	1.12
5	A₁	1080	1017	13.60
6	A₁	735	692	2.61
7	A₁	274	258	0.08
8	A₂	3191	3004	0.00
9	A₂	1513	1425	0.00
10	A₂	984	927	0.00
11	A₂	200	188	0.00
12	B₁	3185	2999	18.98
13	B₁	1522	1434	12.82
14	B₁	1017	957	5.44
15	B₁	200	188	0.88
16	B₂	3204	3017	2.34
17	B₂	3103	2922	20.12
18	B₂	1527	1438	14.25
19	B₂	1387	1306	6.31
20	B₂	941	886	0.45
21	B₂	790	744	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.364	-0.514
C3	0.000	-1.364	-0.514
H4	0.000	2.292	0.054
H5	0.000	-2.292	0.054
H6	0.890	1.339	-1.143
H7	-0.890	1.339	-1.143
H8	-0.890	-1.339	-1.143
H9	0.890	-1.339	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8032	1.8032	2.3724	2.3724	2.4190	2.4190	2.4190	2.4190
C2	1.8032		2.7283	1.0884	3.7005	1.0893	1.0893	2.9145	2.9145
C3	1.8032	2.7283		3.7005	1.0884	2.9145	2.9145	1.0893	1.0893
H4	2.3724	1.0884	3.7005		4.5848	1.7696	1.7696	3.9258	3.9258
H5	2.3724	3.7005	1.0884	4.5848		3.9258	3.9258	1.7696	1.7696
H6	2.4190	1.0893	2.9145	1.7696	3.9258		1.7791	3.2155	2.6785
H7	2.4190	1.0893	2.9145	1.7696	3.9258	1.7791		2.6785	3.2155
H8	2.4190	2.9145	1.0893	3.9258	1.7696	3.2155	2.6785		1.7791
H9	2.4190	2.9145	1.0893	3.9258	1.7696	2.6785	3.2155	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.682	S1	C2	H6	111.090
S1	C2	H7	111.090	S1	C3	H5	107.682
S1	C3	H8	111.090	S1	C3	H9	111.090
C2	S1	C3	98.317	H4	C2	H6	108.703
H4	C2	H7	108.703	H5	C3	H8	108.703
H5	C3	H9	108.703	H6	C2	H7	109.495
H8	C3	H9	109.495

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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