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	hartrees
Energy at 0K	-477.408731
Energy at 298.15K
HF Energy	-476.802234
Nuclear repulsion energy	111.615835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3188	3027	7.20	95.60	0.65	0.79
2	A₁	3090	2933	27.89	295.64	0.00	0.00
3	A₁	1513	1437	0.30	13.21	0.75	0.86
4	A₁	1379	1310	0.30	0.21	0.70	0.82
5	A₁	1060	1006	10.02	2.48	0.36	0.53
6	A₁	732	695	2.46	15.85	0.11	0.19
7	A₁	266	252	0.04	2.54	0.65	0.79
8	A₂	3174	3013	0.00	14.30	0.75	0.86
9	A₂	1489	1414	0.00	16.31	0.75	0.86
10	A₂	966	917	0.00	2.07	0.75	0.86
11	A₂	183	174	0.00	0.10	0.75	0.86
12	B₁	3165	3005	20.97	107.81	0.75	0.86
13	B₁	1499	1423	14.90	0.08	0.75	0.86
14	B₁	1002	951	4.85	1.32	0.75	0.86
15	B₁	193	184	0.93	0.18	0.75	0.86
16	B₂	3190	3028	2.01	44.18	0.75	0.86
17	B₂	3095	2938	23.04	1.25	0.75	0.86
18	B₂	1505	1429	15.37	0.06	0.75	0.86
19	B₂	1355	1287	4.59	1.14	0.75	0.86
20	B₂	923	876	0.37	0.99	0.75	0.86
21	B₂	785	745	0.00	7.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.357	-0.516
C3	0.000	-1.357	-0.516
H4	0.000	2.281	0.049
H5	0.000	-2.281	0.049
H6	0.887	1.325	-1.139
H7	-0.887	1.325	-1.139
H8	-0.887	-1.325	-1.139
H9	0.887	-1.325	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7987	1.7987	2.3633	2.3633	2.4075	2.4075	2.4075	2.4075
C2	1.7987		2.7132	1.0833	3.6815	1.0845	1.0845	2.8921	2.8921
C3	1.7987	2.7132		3.6815	1.0833	2.8921	2.8921	1.0845	1.0845
H4	2.3633	1.0833	3.6815		4.5628	1.7640	1.7640	3.8987	3.8987
H5	2.3633	3.6815	1.0833	4.5628		3.8987	3.8987	1.7640	1.7640
H6	2.4075	1.0845	2.8921	1.7640	3.8987		1.7745	3.1886	2.6492
H7	2.4075	1.0845	2.8921	1.7640	3.8987	1.7745		2.6492	3.1886
H8	2.4075	2.8921	1.0845	3.8987	1.7640	3.1886	2.6492		1.7745
H9	2.4075	2.8921	1.0845	3.8987	1.7640	2.6492	3.1886	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.569	S1	C2	H6	110.785
S1	C2	H7	110.785	S1	C3	H5	107.569
S1	C3	H8	110.785	S1	C3	H9	110.785
C2	S1	C3	97.913	H4	C2	H6	108.922
H4	C2	H7	108.922	H5	C3	H8	108.922
H5	C3	H9	108.922	H6	C2	H7	109.792
H8	C3	H9	109.792

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

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