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	hartrees
Energy at 0K	-478.045189
Energy at 298.15K
HF Energy	-478.045189
Nuclear repulsion energy	111.186814

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	3154	3154	10.41	95.66	0.64	0.78
2	A₁	3046	3046	31.14	331.90	0.00	0.00
3	A₁	1492	1492	0.94	10.04	0.75	0.86
4	A₁	1376	1376	0.16	0.19	0.75	0.86
5	A₁	1060	1060	11.30	1.55	0.23	0.38
6	A₁	715	715	2.58	17.72	0.10	0.18
7	A₁	272	272	0.06	2.85	0.63	0.77
8	A₂	3133	3133	0.00	18.88	0.75	0.86
9	A₂	1470	1470	0.00	12.59	0.75	0.86
10	A₂	963	963	0.00	1.04	0.75	0.86
11	A₂	190	190	0.00	0.08	0.75	0.86
12	B₁	3125	3125	25.66	117.53	0.75	0.86
13	B₁	1479	1479	16.11	0.10	0.75	0.86
14	B₁	998	998	5.06	0.37	0.75	0.86
15	B₁	194	194	1.04	0.15	0.75	0.86
16	B₂	3154	3154	2.67	48.34	0.75	0.86
17	B₂	3050	3050	27.09	2.95	0.75	0.86
18	B₂	1484	1484	16.16	0.12	0.75	0.86
19	B₂	1354	1354	2.70	0.56	0.75	0.86
20	B₂	921	921	0.45	0.59	0.75	0.86
21	B₂	769	769	0.02	7.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.657
C2	0.000	1.374	-0.509
C3	0.000	-1.374	-0.509
H4	0.000	2.292	0.073
H5	0.000	-2.292	0.073
H6	0.890	1.354	-1.136
H7	-0.890	1.354	-1.136
H8	-0.890	-1.354	-1.136
H9	0.890	-1.354	-1.136

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8020	1.8020	2.3655	2.3655	2.4165	2.4165	2.4165	2.4165
C2	1.8020		2.7479	1.0875	3.7123	1.0888	1.0888	2.9375	2.9375
C3	1.8020	2.7479		3.7123	1.0875	2.9375	2.9375	1.0888	1.0888
H4	2.3655	1.0875	3.7123		4.5848	1.7701	1.7701	3.9436	3.9436
H5	2.3655	3.7123	1.0875	4.5848		3.9436	3.9436	1.7701	1.7701
H6	2.4165	1.0888	2.9375	1.7701	3.9436		1.7810	3.2418	2.7087
H7	2.4165	1.0888	2.9375	1.7701	3.9436	1.7810		2.7087	3.2418
H8	2.4165	2.9375	1.0888	3.9436	1.7701	3.2418	2.7087		1.7810
H9	2.4165	2.9375	1.0888	3.9436	1.7701	2.7087	3.2418	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.309	S1	C2	H6	111.006
S1	C2	H7	111.006	S1	C3	H5	107.309
S1	C3	H8	111.006	S1	C3	H9	111.006
C2	S1	C3	99.362	H4	C2	H6	108.853
H4	C2	H7	108.853	H5	C3	H8	108.853
H5	C3	H9	108.853	H6	C2	H7	109.736
H8	C3	H9	109.736

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.075
2	C	-0.133
3	C	-0.133
4	H	0.045
5	H	0.045
6	H	0.026
7	H	0.026
8	H	0.026
9	H	0.026

<r²>	75.659
(<r²>)^1/2	8.698

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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