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	hartrees
Energy at 0K	-478.032304
Energy at 298.15K
HF Energy	-478.032304
Nuclear repulsion energy	111.249160

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	3157	3016	10.15	100.72	0.65	0.79
2	A₁	3049	2913	30.90	322.66	0.00	0.00
3	A₁	1493	1426	0.92	13.64	0.75	0.86
4	A₁	1378	1316	0.24	0.22	0.75	0.86
5	A₁	1059	1012	11.01	3.47	0.32	0.49
6	A₁	716	684	2.63	16.09	0.14	0.24
7	A₁	272	260	0.05	2.52	0.63	0.77
8	A₂	3136	2996	0.00	17.26	0.75	0.86
9	A₂	1470	1404	0.00	17.94	0.75	0.86
10	A₂	962	919	0.00	2.57	0.75	0.86
11	A₂	183	175	0.00	0.15	0.75	0.86
12	B₁	3128	2988	27.45	117.87	0.75	0.86
13	B₁	1479	1412	16.79	0.49	0.75	0.86
14	B₁	997	953	5.20	1.32	0.75	0.86
15	B₁	189	181	1.23	0.21	0.75	0.86
16	B₂	3158	3016	2.78	50.60	0.75	0.86
17	B₂	3053	2916	26.98	2.05	0.75	0.86
18	B₂	1485	1419	16.88	0.14	0.75	0.86
19	B₂	1355	1295	2.94	0.97	0.75	0.86
20	B₂	919	878	0.37	1.31	0.75	0.86
21	B₂	769	735	0.00	7.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.656
C2	0.000	1.372	-0.509
C3	0.000	-1.372	-0.509
H4	0.000	2.292	0.074
H5	0.000	-2.292	0.074
H6	0.891	1.354	-1.136
H7	-0.891	1.354	-1.136
H8	-0.891	-1.354	-1.136
H9	0.891	-1.354	-1.136

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8000	1.8000	2.3647	2.3647	2.4164	2.4164	2.4164	2.4164
C2	1.8000		2.7446	1.0883	3.7101	1.0897	1.0897	2.9360	2.9360
C3	1.8000	2.7446		3.7101	1.0883	2.9360	2.9360	1.0897	1.0897
H4	2.3647	1.0883	3.7101		4.5836	1.7709	1.7709	3.9432	3.9432
H5	2.3647	3.7101	1.0883	4.5836		3.9432	3.9432	1.7709	1.7709
H6	2.4164	1.0897	2.9360	1.7709	3.9432		1.7815	3.2415	2.7081
H7	2.4164	1.0897	2.9360	1.7709	3.9432	1.7815		2.7081	3.2415
H8	2.4164	2.9360	1.0897	3.9432	1.7709	3.2415	2.7081		1.7815
H9	2.4164	2.9360	1.0897	3.9432	1.7709	2.7081	3.2415	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.333	S1	C2	H6	111.088
S1	C2	H7	111.088	S1	C3	H5	107.333
S1	C3	H8	111.088	S1	C3	H9	111.088
C2	S1	C3	99.352	H4	C2	H6	108.795
H4	C2	H7	108.795	H5	C3	H8	108.795
H5	C3	H9	108.795	H6	C2	H7	109.660
H8	C3	H9	109.660

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	S	-0.096
2	C	-0.274
3	C	-0.274
4	H	0.114
5	H	0.114
6	H	0.104
7	H	0.104
8	H	0.104
9	H	0.104

<r²>	75.567
(<r²>)^1/2	8.693

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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