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	hartrees
Energy at 0K	-472.464937
Energy at 298.15K
HF Energy	-472.464937
Nuclear repulsion energy	110.661287

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	3524	3112	1.22	44.26	0.69	0.82
2	A₁	3328	2939	3.73	85.14	0.00	0.01
3	A₁	1705	1505	0.79	27.59	0.74	0.85
4	A₁	1573	1389	0.01	3.50	0.64	0.78
5	A₁	1159	1023	15.69	6.41	0.62	0.77
6	A₁	847	748	0.82	13.00	0.17	0.29
7	A₁	311	275	0.06	1.13	0.55	0.71
8	A₂	3492	3084	0.00	5.60	0.75	0.86
9	A₂	1684	1488	0.00	35.17	0.75	0.86
10	A₂	1066	941	0.00	4.68	0.75	0.86
11	A₂	184	162	0.00	0.09	0.75	0.86
12	B₁	3489	3081	9.43	46.64	0.75	0.86
13	B₁	1685	1488	10.61	0.39	0.75	0.86
14	B₁	1097	968	2.16	4.18	0.75	0.86
15	B₁	179	158	0.69	0.00	0.75	0.86
16	B₂	3523	3111	0.28	23.49	0.75	0.86
17	B₂	3329	2940	3.67	0.05	0.75	0.86
18	B₂	1701	1502	11.44	0.03	0.75	0.86
19	B₂	1545	1364	7.60	5.38	0.75	0.86
20	B₂	1030	910	0.35	1.34	0.75	0.86
21	B₂	895	791	0.03	7.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.678
C2	0.000	1.356	-0.520
C3	0.000	-1.356	-0.520
H4	0.000	2.305	0.031
H5	0.000	-2.305	0.031
H6	0.890	1.338	-1.167
H7	-0.890	1.338	-1.167
H8	-0.890	-1.338	-1.167
H9	0.890	-1.338	-1.167

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8098	1.8098	2.3937	2.3937	2.4463	2.4463	2.4463	2.4463
C2	1.8098		2.7123	1.0971	3.7020	1.0999	1.0999	2.9099	2.9099
C3	1.8098	2.7123		3.7020	1.0971	2.9099	2.9099	1.0999	1.0999
H4	2.3937	1.0971	3.7020		4.6092	1.7778	1.7778	3.9362	3.9362
H5	2.3937	3.7020	1.0971	4.6092		3.9362	3.9362	1.7778	1.7778
H6	2.4463	1.0999	2.9099	1.7778	3.9362		1.7797	3.2136	2.6758
H7	2.4463	1.0999	2.9099	1.7778	3.9362	1.7797		2.6758	3.2136
H8	2.4463	2.9099	1.0999	3.9362	1.7778	3.2136	2.6758		1.7797
H9	2.4463	2.9099	1.0999	3.9362	1.7778	2.6758	3.2136	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.361	S1	C2	H6	112.123
S1	C2	H7	112.123	S1	C3	H5	108.361
S1	C3	H8	112.123	S1	C3	H9	112.123
C2	S1	C3	97.067	H4	C2	H6	108.035
H4	C2	H7	108.035	H5	C3	H8	108.035
H5	C3	H9	108.035	H6	C2	H7	108.011
H8	C3	H9	108.011

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

using model chemistry: HSEh1PBE/STO-3G

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	0.147
2	C	-0.318
3	C	-0.318
4	H	0.086
5	H	0.086
6	H	0.079
7	H	0.079
8	H	0.079
9	H	0.079

<r²>	74.403
(<r²>)^1/2	8.626

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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