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	hartrees
Energy at 0K	-477.274900
Energy at 298.15K
HF Energy	-476.764761
Nuclear repulsion energy	110.000845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3177	12.19
2	A₁	3064	3064	32.62
3	A₁	1480	1480	0.36
4	A₁	1366	1366	0.96
5	A₁	1051	1051	8.63
6	A₁	707	707	2.39
7	A₁	262	262	0.03
8	A₂	3159	3159	0.00
9	A₂	1458	1458	0.00
10	A₂	949	949	0.00
11	A₂	167	167	0.00
12	B₁	3151	3151	26.42
13	B₁	1469	1469	11.63
14	B₁	986	986	3.30
15	B₁	175	175	0.69
16	B₂	3178	3178	5.44
17	B₂	3068	3068	26.79
18	B₂	1470	1470	12.43
19	B₂	1338	1338	6.97
20	B₂	911	911	0.14
21	B₂	760	760	0.13

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	2.315	0.052
H5	0.000	-2.315	0.052
H6	0.900	1.346	-1.153
H7	-0.900	1.346	-1.153
H8	-0.900	-1.346	-1.153
H9	0.900	-1.346	-1.153

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8253	1.8253	2.3973	2.3973	2.4408	2.4408	2.4408	2.4408
C2	1.8253		2.7579	1.0983	3.7386	1.0997	1.0997	2.9380	2.9380
C3	1.8253	2.7579		3.7386	1.0983	2.9380	2.9380	1.0997	1.0997
H4	2.3973	1.0983	3.7386		4.6305	1.7893	1.7893	3.9578	3.9578
H5	2.3973	3.7386	1.0983	4.6305		3.9578	3.9578	1.7893	1.7893
H6	2.4408	1.0997	2.9380	1.7893	3.9578		1.8009	3.2383	2.6914
H7	2.4408	1.0997	2.9380	1.7893	3.9578	1.8009		2.6914	3.2383
H8	2.4408	2.9380	1.0997	3.9578	1.7893	3.2383	2.6914		1.8009
H9	2.4408	2.9380	1.0997	3.9578	1.7893	2.6914	3.2383	1.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.553	S1	C2	H6	110.656
S1	C2	H7	110.656	S1	C3	H5	107.553
S1	C3	H8	110.656	S1	C3	H9	110.656
C2	S1	C3	98.130	H4	C2	H6	108.991
H4	C2	H7	108.991	H5	C3	H8	108.991
H5	C3	H9	108.991	H6	C2	H7	109.933
H8	C3	H9	109.933

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

using model chemistry: MP3=FULL/daug-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: MP3=FULL/daug-cc-pVDZ

States and conformations

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