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	hartrees
Energy at 0K	-477.337115
Energy at 298.15K
HF Energy	-476.799103
Nuclear repulsion energy	111.490868

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	3033	8.30	93.97	0.68	0.81
2	A₁	3073	2924	27.40	310.50	0.00	0.00
3	A₁	1503	1430	0.39	13.12	0.75	0.86
4	A₁	1376	1309	0.42	0.21	0.65	0.79
5	A₁	1058	1007	9.68	3.31	0.32	0.48
6	A₁	727	692	2.52	15.43	0.13	0.23
7	A₁	265	252	0.03	2.40	0.64	0.78
8	A₂	3172	3018	0.00	14.16	0.75	0.86
9	A₂	1477	1405	0.00	17.24	0.75	0.86
10	A₂	963	916	0.00	2.48	0.75	0.86
11	A₂	184	175	0.00	0.16	0.75	0.86
12	B₁	3163	3010	21.52	108.30	0.75	0.86
13	B₁	1486	1414	14.84	0.47	0.75	0.86
14	B₁	999	951	4.61	1.38	0.75	0.86
15	B₁	195	185	0.93	0.19	0.75	0.86
16	B₂	3189	3034	1.88	44.60	0.75	0.86
17	B₂	3078	2929	23.30	0.91	0.75	0.86
18	B₂	1494	1422	15.17	0.08	0.75	0.86
19	B₂	1351	1286	4.54	0.86	0.75	0.86
20	B₂	919	875	0.20	1.23	0.75	0.86
21	B₂	780	742	0.00	7.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.359	-0.515
C3	0.000	-1.359	-0.515
H4	0.000	2.285	0.054
H5	0.000	-2.285	0.054
H6	0.890	1.328	-1.140
H7	-0.890	1.328	-1.140
H8	-0.890	-1.328	-1.140
H9	0.890	-1.328	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7990	1.7990	2.3648	2.3648	2.4110	2.4110	2.4110	2.4110
C2	1.7990		2.7172	1.0869	3.6875	1.0880	1.0880	2.8987	2.8987
C3	1.7990	2.7172		3.6875	1.0869	2.8987	2.8987	1.0880	1.0880
H4	2.3648	1.0869	3.6875		4.5694	1.7700	1.7700	3.9080	3.9080
H5	2.3648	3.6875	1.0869	4.5694		3.9080	3.9080	1.7700	1.7700
H6	2.4110	1.0880	2.8987	1.7700	3.9080		1.7797	3.1977	2.6567
H7	2.4110	1.0880	2.8987	1.7700	3.9080	1.7797		2.6567	3.1977
H8	2.4110	2.8987	1.0880	3.9080	1.7700	3.1977	2.6567		1.7797
H9	2.4110	2.8987	1.0880	3.9080	1.7700	2.6567	3.1977	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.478	S1	C2	H6	110.840
S1	C2	H7	110.840	S1	C3	H5	107.478
S1	C3	H8	110.840	S1	C3	H9	110.840
C2	S1	C3	98.085	H4	C2	H6	108.938
H4	C2	H7	108.938	H5	C3	H8	108.938
H5	C3	H9	108.938	H6	C2	H7	109.740
H8	C3	H9	109.740

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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