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	hartrees
Energy at 0K	-477.994923
Energy at 298.15K
HF Energy	-477.994923
Nuclear repulsion energy	110.394323

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	3165	3029	10.91	93.34	0.64	0.78
2	A₁	3045	2915	33.77	330.31	0.00	0.00
3	A₁	1458	1395	1.05	7.33	0.75	0.86
4	A₁	1349	1291	0.32	0.59	0.21	0.35
5	A₁	1044	999	10.18	0.53	0.09	0.17
6	A₁	712	682	3.04	21.82	0.08	0.15
7	A₁	268	256	0.08	3.11	0.63	0.78
8	A₂	3142	3008	0.00	18.81	0.75	0.86
9	A₂	1437	1376	0.00	10.02	0.75	0.86
10	A₂	944	904	0.00	0.22	0.75	0.86
11	A₂	174	166	0.00	0.12	0.75	0.86
12	B₁	3135	3001	25.12	119.85	0.75	0.86
13	B₁	1448	1386	15.36	0.04	0.75	0.86
14	B₁	980	938	4.87	0.00	0.75	0.86
15	B₁	183	175	0.99	0.08	0.75	0.86
16	B₂	3165	3030	4.00	45.69	0.75	0.86
17	B₂	3049	2918	30.22	4.22	0.75	0.86
18	B₂	1449	1387	15.49	0.08	0.75	0.86
19	B₂	1323	1267	3.88	0.10	0.75	0.86
20	B₂	906	867	0.43	0.25	0.75	0.86
21	B₂	765	733	0.13	8.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.382	-0.514
C3	0.000	-1.382	-0.514
H4	0.000	2.309	0.071
H5	0.000	-2.309	0.071
H6	0.898	1.359	-1.145
H7	-0.898	1.359	-1.145
H8	-0.898	-1.359	-1.145
H9	0.898	-1.359	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8150	1.8150	2.3835	2.3835	2.4335	2.4335	2.4335	2.4335
C2	1.8150		2.7632	1.0964	3.7365	1.0978	1.0978	2.9526	2.9526
C3	1.8150	2.7632		3.7365	1.0964	2.9526	2.9526	1.0978	1.0978
H4	2.3835	1.0964	3.7365		4.6177	1.7849	1.7849	3.9674	3.9674
H5	2.3835	3.7365	1.0964	4.6177		3.9674	3.9674	1.7849	1.7849
H6	2.4335	1.0978	2.9526	1.7849	3.9674		1.7970	3.2590	2.7188
H7	2.4335	1.0978	2.9526	1.7849	3.9674	1.7970		2.7188	3.2590
H8	2.4335	2.9526	1.0978	3.9674	1.7849	3.2590	2.7188		1.7970
H9	2.4335	2.9526	1.0978	3.9674	1.7849	2.7188	3.2590	1.7970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.323	S1	C2	H6	110.917
S1	C2	H7	110.917	S1	C3	H5	107.323
S1	C3	H8	110.917	S1	C3	H9	110.917
C2	S1	C3	99.143	H4	C2	H6	108.874
H4	C2	H7	108.874	H5	C3	H8	108.874
H5	C3	H9	108.874	H6	C2	H7	109.859
H8	C3	H9	109.859

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

using model chemistry: wB97X-D/aug-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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Number	Element	Mulliken
1	S	0.287
2	C	0.312
3	C	0.312
4	H	-0.184
5	H	-0.184
6	H	-0.136
7	H	-0.136
8	H	-0.136
9	H	-0.136

<r²>	76.565
(<r²>)^1/2	8.750

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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