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	hartrees
Energy at 0K	-477.276620
Energy at 298.15K
HF Energy	-476.763840
Nuclear repulsion energy	109.925405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3154	13.21
2	A₁	3045	3045	33.16
3	A₁	1477	1477	0.29
4	A₁	1364	1364	1.15
5	A₁	1050	1050	8.49
6	A₁	705	705	2.39
7	A₁	262	262	0.02
8	A₂	3135	3135	0.00
9	A₂	1454	1454	0.00
10	A₂	946	946	0.00
11	A₂	167	167	0.00
12	B₁	3129	3129	28.03
13	B₁	1466	1466	11.21
14	B₁	983	983	3.30
15	B₁	182	182	0.72
16	B₂	3154	3154	6.32
17	B₂	3047	3047	29.20
18	B₂	1469	1469	12.05
19	B₂	1338	1338	8.13
20	B₂	913	913	0.09
21	B₂	757	757	0.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.674
C2	0.000	1.379	-0.522
C3	0.000	-1.379	-0.522
H4	0.000	2.318	0.052
H5	0.000	-2.318	0.052
H6	0.902	1.347	-1.154
H7	-0.902	1.347	-1.154
H8	-0.902	-1.347	-1.154
H9	0.902	-1.347	-1.154

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8258	1.8258	2.3997	2.3997	2.4431	2.4431	2.4431	2.4431
C2	1.8258		2.7584	1.1006	3.7414	1.1016	1.1016	2.9399	2.9399
C3	1.8258	2.7584		3.7414	1.1006	2.9399	2.9399	1.1016	1.1016
H4	2.3997	1.1006	3.7414		4.6356	1.7922	1.7922	3.9620	3.9620
H5	2.3997	3.7414	1.1006	4.6356		3.9620	3.9620	1.7922	1.7922
H6	2.4431	1.1016	2.9399	1.7922	3.9620		1.8038	3.2416	2.6934
H7	2.4431	1.1016	2.9399	1.7922	3.9620	1.8038		2.6934	3.2416
H8	2.4431	2.9399	1.1016	3.9620	1.7922	3.2416	2.6934		1.8038
H9	2.4431	2.9399	1.1016	3.9620	1.7922	2.6934	3.2416	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.579	S1	C2	H6	110.698
S1	C2	H7	110.698	S1	C3	H5	107.579
S1	C3	H8	110.698	S1	C3	H9	110.698
C2	S1	C3	98.123	H4	C2	H6	108.944
H4	C2	H7	108.944	H5	C3	H8	108.944
H5	C3	H9	108.944	H6	C2	H7	109.912
H8	C3	H9	109.912

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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