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	hartrees
Energy at 0K	-475.299290
Energy at 298.15K
HF Energy	-475.217078
Nuclear repulsion energy	107.173903

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	3205	3205	6.29	89.48	0.71	0.83
2	A₁	3103	3103	19.66	191.10	0.00	0.01
3	A₁	1568	1568	1.16	33.99	0.74	0.85
4	A₁	1424	1424	1.45	1.48	0.25	0.40
5	A₁	1077	1077	20.00	11.77	0.67	0.80
6	A₁	626	626	3.70	26.55	0.17	0.29
7	A₁	243	243	0.09	3.19	0.67	0.80
8	A₂	3197	3197	0.00	9.32	0.75	0.86
9	A₂	1551	1551	0.00	47.56	0.75	0.86
10	A₂	978	978	0.00	11.09	0.75	0.86
11	A₂	165	165	0.00	0.08	0.75	0.86
12	B₁	3194	3194	23.55	94.98	0.75	0.86
13	B₁	1561	1561	23.98	0.01	0.75	0.86
14	B₁	1009	1009	9.85	9.46	0.75	0.86
15	B₁	161	161	0.95	0.06	0.75	0.86
16	B₂	3206	3206	2.17	44.39	0.75	0.86
17	B₂	3105	3105	17.47	0.29	0.75	0.86
18	B₂	1559	1559	19.98	0.00	0.75	0.86
19	B₂	1398	1398	5.51	2.24	0.75	0.86
20	B₂	954	954	0.33	2.36	0.75	0.86
21	B₂	671	671	1.87	15.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.699
C2	0.000	1.432	-0.550
C3	0.000	-1.432	-0.550
H4	0.000	2.348	0.038
H5	0.000	-2.348	0.038
H6	0.897	1.381	-1.165
H7	-0.897	1.381	-1.165
H8	-0.897	-1.381	-1.165
H9	0.897	-1.381	-1.165

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8998	1.8998	2.4396	2.4396	2.4867	2.4867	2.4867	2.4867
C2	1.8998		2.8641	1.0888	3.8260	1.0892	1.0892	3.0157	3.0157
C3	1.8998	2.8641		3.8260	1.0888	3.0157	3.0157	1.0892	1.0892
H4	2.4396	1.0888	3.8260		4.6970	1.7859	1.7859	4.0197	4.0197
H5	2.4396	3.8260	1.0888	4.6970		4.0197	4.0197	1.7859	1.7859
H6	2.4867	1.0892	3.0157	1.7859	4.0197		1.7950	3.2932	2.7611
H7	2.4867	1.0892	3.0157	1.7859	4.0197	1.7950		2.7611	3.2932
H8	2.4867	3.0157	1.0892	4.0197	1.7859	3.2932	2.7611		1.7950
H9	2.4867	3.0157	1.0892	4.0197	1.7859	2.7611	3.2932	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.236	S1	C2	H6	109.598
S1	C2	H7	109.598	S1	C3	H5	106.236
S1	C3	H8	109.598	S1	C3	H9	109.598
C2	S1	C3	97.837	H4	C2	H6	110.163
H4	C2	H7	110.163	H5	C3	H8	110.163
H5	C3	H9	110.163	H6	C2	H7	110.969
H8	C3	H9	110.969

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

using model chemistry: B2PLYP/3-21G

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	0.221
2	C	-0.777
3	C	-0.777
4	H	0.229
5	H	0.229
6	H	0.219
7	H	0.219
8	H	0.219
9	H	0.219

<r²>	80.490
(<r²>)^1/2	8.972

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

using model chemistry: B2PLYP/3-21G

States and conformations

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