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	hartrees
Energy at 0K	-477.201047
Energy at 298.15K
HF Energy	-476.757945
Nuclear repulsion energy	110.504975

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	3208	3049	9.08	105.02	0.69	0.82
2	A₁	3081	2929	28.95	269.26	0.00	0.00
3	A₁	1489	1416	0.09	23.23	0.75	0.86
4	A₁	1370	1302	0.99	1.37	0.24	0.38
5	A₁	1054	1002	10.91	4.54	0.51	0.68
6	A₁	728	692	3.17	15.13	0.14	0.24
7	A₁	268	254	0.04	2.37	0.65	0.78
8	A₂	3191	3032	0.00	13.16	0.75	0.86
9	A₂	1464	1391	0.00	30.84	0.75	0.86
10	A₂	961	913	0.00	4.30	0.75	0.86
11	A₂	183	173	0.00	0.12	0.75	0.86
12	B₁	3183	3025	28.85	121.20	0.75	0.86
13	B₁	1474	1401	14.30	0.00	0.75	0.86
14	B₁	999	949	5.44	4.12	0.75	0.86
15	B₁	194	185	1.08	0.08	0.75	0.86
16	B₂	3209	3050	2.47	54.25	0.75	0.86
17	B₂	3086	2933	28.00	0.05	0.75	0.86
18	B₂	1481	1408	16.49	0.08	0.75	0.86
19	B₂	1342	1276	8.05	2.88	0.75	0.86
20	B₂	919	873	0.42	1.87	0.75	0.86
21	B₂	781	742	0.01	7.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.368	-0.519
C3	0.000	-1.368	-0.519
H4	0.000	2.306	0.056
H5	0.000	-2.306	0.056
H6	0.900	1.342	-1.154
H7	-0.900	1.342	-1.154
H8	-0.900	-1.342	-1.154
H9	0.900	-1.342	-1.154

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8126	1.8126	2.3863	2.3863	2.4369	2.4369	2.4369	2.4369
C2	1.8126		2.7360	1.1000	3.7186	1.1016	1.1016	2.9252	2.9252
C3	1.8126	2.7360		3.7186	1.1000	2.9252	2.9252	1.1016	1.1016
H4	2.3863	1.1000	3.7186		4.6118	1.7896	1.7896	3.9472	3.9472
H5	2.3863	3.7186	1.1000	4.6118		3.9472	3.9472	1.7896	1.7896
H6	2.4369	1.1016	2.9252	1.7896	3.9472		1.7994	3.2313	2.6839
H7	2.4369	1.1016	2.9252	1.7896	3.9472	1.7994		2.6839	3.2313
H8	2.4369	2.9252	1.1016	3.9472	1.7896	3.2313	2.6839		1.7994
H9	2.4369	2.9252	1.1016	3.9472	1.7896	2.6839	3.2313	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.499	S1	C2	H6	111.125
S1	C2	H7	111.125	S1	C3	H5	107.499
S1	C3	H8	111.125	S1	C3	H9	111.125
C2	S1	C3	98.003	H4	C2	H6	108.750
H4	C2	H7	108.750	H5	C3	H8	108.750
H5	C3	H9	108.750	H6	C2	H7	109.514
H8	C3	H9	109.514

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

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

States and conformations

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