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	hartrees
Energy at 0K	-25.053632
Energy at 298.15K
HF Energy	-25.053632
Nuclear repulsion energy	43.177217

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	3142	3034	28.13	107.07	0.69	0.82
2	A₁	3042	2938	43.08	284.14	0.01	0.01
3	A₁	1487	1436	0.39	22.98	0.74	0.85
4	A₁	1372	1325	2.44	0.71	0.29	0.45
5	A₁	1050	1014	22.83	12.03	0.57	0.72
6	A₁	681	658	3.32	25.33	0.15	0.26
7	A₁	253	244	0.19	3.07	0.63	0.77
8	A₂	3126	3019	0.00	10.09	0.75	0.86
9	A₂	1465	1414	0.00	33.19	0.75	0.86
10	A₂	945	913	0.00	16.63	0.75	0.86
11	A₂	182	175	0.00	0.56	0.75	0.86
12	B₁	3121	3014	70.79	113.45	0.75	0.86
13	B₁	1474	1423	18.39	0.14	0.75	0.86
14	B₁	983	949	13.71	6.23	0.75	0.86
15	B₁	183	177	1.17	0.40	0.75	0.86
16	B₂	3141	3033	11.79	55.72	0.75	0.86
17	B₂	3045	2940	43.61	0.01	0.75	0.86
18	B₂	1479	1429	18.62	0.06	0.75	0.86
19	B₂	1344	1298	6.02	3.50	0.75	0.86
20	B₂	903	872	0.55	3.18	0.75	0.86
21	B₂	732	707	0.18	14.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.672
C2	0.000	1.402	-0.523
C3	0.000	-1.402	-0.523
H4	0.000	2.330	0.072
H5	0.000	-2.330	0.072
H6	0.902	1.384	-1.157
H7	-0.902	1.384	-1.157
H8	-0.902	-1.384	-1.157
H9	0.902	-1.384	-1.157

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8417	1.8417	2.4056	2.4056	2.4647	2.4647	2.4647	2.4647
C2	1.8417		2.8035	1.1019	3.7784	1.1032	1.1032	2.9963	2.9963
C3	1.8417	2.8035		3.7784	1.1019	2.9963	2.9963	1.1032	1.1032
H4	2.4056	1.1019	3.7784		4.6591	1.7938	1.7938	4.0144	4.0144
H5	2.4056	3.7784	1.1019	4.6591		4.0144	4.0144	1.7938	1.7938
H6	2.4647	1.1032	2.9963	1.7938	4.0144		1.8049	3.3047	2.7683
H7	2.4647	1.1032	2.9963	1.7938	4.0144	1.8049		2.7683	3.3047
H8	2.4647	2.9963	1.1032	4.0144	1.7938	3.3047	2.7683		1.8049
H9	2.4647	2.9963	1.1032	4.0144	1.7938	2.7683	3.3047	1.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.913	S1	C2	H6	111.146
S1	C2	H7	111.146	S1	C3	H5	106.913
S1	C3	H8	111.146	S1	C3	H9	111.146
C2	S1	C3	99.124	H4	C2	H6	108.880
H4	C2	H7	108.880	H5	C3	H8	108.880
H5	C3	H9	108.880	H6	C2	H7	109.782
H8	C3	H9	109.782

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

using model chemistry: B3LYP/CEP-31G*

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	-0.085
2	C	-0.499
3	C	-0.499
4	H	0.195
5	H	0.195
6	H	0.173
7	H	0.173
8	H	0.173
9	H	0.173

<r²>	63.950
(<r²>)^1/2	7.997

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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