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	hartrees
Energy at 0K	-477.271376
Energy at 298.15K
HF Energy	-476.785607
Nuclear repulsion energy	110.594179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3001	13.66
2	A₁	3101	2900	33.82
3	A₁	1514	1416	0.26
4	A₁	1424	1332	2.59
5	A₁	1078	1008	12.62
6	A₁	721	675	2.53
7	A₁	270	253	0.00
8	A₂	3191	2984	0.00
9	A₂	1473	1378	0.00
10	A₂	970	907	0.00
11	A₂	129	121	0.00
12	B₁	3184	2978	37.27
13	B₁	1484	1388	12.70
14	B₁	1018	952	4.20
15	B₁	182	170	1.04
16	B₂	3209	3001	7.02
17	B₂	3104	2903	27.62
18	B₂	1501	1404	14.34
19	B₂	1397	1306	7.22
20	B₂	939	878	0.02
21	B₂	772	722	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.671
C2	0.000	1.373	-0.521
C3	0.000	-1.373	-0.521
H4	0.000	2.299	0.048
H5	0.000	-2.299	0.048
H6	0.890	1.346	-1.146
H7	-0.890	1.346	-1.146
H8	-0.890	-1.346	-1.146
H9	0.890	-1.346	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8180	1.8180	2.3819	2.3819	2.4299	2.4299	2.4299	2.4299
C2	1.8180		2.7463	1.0868	3.7161	1.0881	1.0881	2.9285	2.9285
C3	1.8180	2.7463		3.7161	1.0868	2.9285	2.9285	1.0881	1.0881
H4	2.3819	1.0868	3.7161		4.5983	1.7686	1.7686	3.9375	3.9375
H5	2.3819	3.7161	1.0868	4.5983		3.9375	3.9375	1.7686	1.7686
H6	2.4299	1.0881	2.9285	1.7686	3.9375		1.7799	3.2268	2.6915
H7	2.4299	1.0881	2.9285	1.7686	3.9375	1.7799		2.6915	3.2268
H8	2.4299	2.9285	1.0881	3.9375	1.7686	3.2268	2.6915		1.7799
H9	2.4299	2.9285	1.0881	3.9375	1.7686	2.6915	3.2268	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.481	S1	C2	H6	110.961
S1	C2	H7	110.961	S1	C3	H5	107.481
S1	C3	H8	110.961	S1	C3	H9	110.961
C2	S1	C3	98.103	H4	C2	H6	108.810
H4	C2	H7	108.810	H5	C3	H8	108.810
H5	C3	H9	108.810	H6	C2	H7	109.744
H8	C3	H9	109.744

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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