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	hartrees
Energy at 0K	-475.536454
Energy at 298.15K
HF Energy	-475.536454
Nuclear repulsion energy	105.956429

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	3099	3082	9.98	90.01	0.70	0.82
2	A₁	3000	2983	21.98	212.33	0.00	0.01
3	A₁	1511	1502	0.79	34.73	0.74	0.85
4	A₁	1359	1352	2.22	3.19	0.20	0.33
5	A₁	1033	1028	19.36	12.19	0.67	0.80
6	A₁	590	586	3.89	21.50	0.18	0.30
7	A₁	232	231	0.15	3.49	0.64	0.78
8	A₂	3089	3072	0.00	11.02	0.75	0.86
9	A₂	1496	1487	0.00	48.49	0.75	0.86
10	A₂	931	926	0.00	12.61	0.75	0.86
11	A₂	159	158	0.00	0.08	0.75	0.86
12	B₁	3086	3069	32.76	98.60	0.75	0.86
13	B₁	1505	1497	20.70	0.01	0.75	0.86
14	B₁	964	959	11.47	10.71	0.75	0.86
15	B₁	152	151	1.01	0.05	0.75	0.86
16	B₂	3100	3083	3.22	47.76	0.75	0.86
17	B₂	3002	2985	19.60	0.01	0.75	0.86
18	B₂	1502	1494	20.22	0.02	0.75	0.86
19	B₂	1332	1325	7.44	3.81	0.75	0.86
20	B₂	912	907	0.47	3.25	0.75	0.86
21	B₂	628	625	2.10	12.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.704
C2	0.000	1.453	-0.556
C3	0.000	-1.453	-0.556
H4	0.000	2.370	0.048
H5	0.000	-2.370	0.048
H6	0.906	1.404	-1.174
H7	-0.906	1.404	-1.174
H8	-0.906	-1.404	-1.174
H9	0.906	-1.404	-1.174

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.9234	1.9234	2.4595	2.4595	2.5140	2.5140	2.5140	2.5140
C2	1.9234		2.9069	1.0977	3.8712	1.0982	1.0982	3.0609	3.0609
C3	1.9234	2.9069		3.8712	1.0977	3.0609	3.0609	1.0982	1.0982
H4	2.4595	1.0977	3.8712		4.7407	1.8022	1.8022	4.0695	4.0695
H5	2.4595	3.8712	1.0977	4.7407		4.0695	4.0695	1.8022	1.8022
H6	2.5140	1.0982	3.0609	1.8022	4.0695		1.8123	3.3423	2.8082
H7	2.5140	1.0982	3.0609	1.8022	4.0695	1.8123		2.8082	3.3423
H8	2.5140	3.0609	1.0982	4.0695	1.8022	3.3423	2.8082		1.8123
H9	2.5140	3.0609	1.0982	4.0695	1.8022	2.8082	3.3423	1.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	105.729	S1	C2	H6	109.565
S1	C2	H7	109.565	S1	C3	H5	105.729
S1	C3	H8	109.565	S1	C3	H9	109.565
C2	S1	C3	98.167	H4	C2	H6	110.313
H4	C2	H7	110.313	H5	C3	H8	110.313
H5	C3	H9	110.313	H6	C2	H7	111.205
H8	C3	H9	111.205

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

using model chemistry: BLYP/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	0.197
2	C	-0.736
3	C	-0.736
4	H	0.219
5	H	0.219
6	H	0.209
7	H	0.209
8	H	0.209
9	H	0.209

<r²>	81.842
(<r²>)^1/2	9.047

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

using model chemistry: BLYP/3-21G

States and conformations

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