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	hartrees
Energy at 0K	-477.987825
Energy at 298.15K
HF Energy	-477.987825
Nuclear repulsion energy	108.938801

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	3051	3039	15.68	112.29	0.66	0.79
2	A₁	2957	2945	42.53	309.17	0.00	0.00
3	A₁	1452	1446	0.09	21.11	0.74	0.85
4	A₁	1336	1331	4.31	2.38	0.35	0.52
5	A₁	1027	1023	19.48	4.09	0.52	0.69
6	A₁	637	634	3.34	15.21	0.17	0.29
7	A₁	253	252	0.04	3.63	0.61	0.76
8	A₂	3032	3020	0.00	19.55	0.75	0.86
9	A₂	1428	1423	0.00	29.21	0.75	0.86
10	A₂	928	924	0.00	6.81	0.75	0.86
11	A₂	175	175	0.00	0.14	0.75	0.86
12	B₁	3024	3013	42.87	141.49	0.75	0.86
13	B₁	1437	1432	16.03	0.02	0.75	0.86
14	B₁	968	964	15.87	3.07	0.75	0.86
15	B₁	175	174	0.93	0.21	0.75	0.86
16	B₂	3052	3040	5.00	61.20	0.75	0.86
17	B₂	2960	2948	32.25	3.56	0.75	0.86
18	B₂	1443	1437	19.30	0.18	0.75	0.86
19	B₂	1310	1305	7.05	5.10	0.75	0.86
20	B₂	891	888	0.11	2.96	0.75	0.86
21	B₂	683	680	0.05	8.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.411	-0.521
C3	0.000	-1.411	-0.521
H4	0.000	2.328	0.081
H5	0.000	-2.328	0.081
H6	0.900	1.399	-1.150
H7	-0.900	1.399	-1.150
H8	-0.900	-1.399	-1.150
H9	0.900	-1.399	-1.150

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8459	1.8459	2.4006	2.4006	2.4646	2.4646	2.4646	2.4646
C2	1.8459		2.8229	1.0967	3.7875	1.0980	1.0980	3.0171	3.0171
C3	1.8459	2.8229		3.7875	1.0967	3.0171	3.0171	1.0980	1.0980
H4	2.4006	1.0967	3.7875		4.6555	1.7861	1.7861	4.0267	4.0267
H5	2.4006	3.7875	1.0967	4.6555		4.0267	4.0267	1.7861	1.7861
H6	2.4646	1.0980	3.0171	1.7861	4.0267		1.7996	3.3263	2.7975
H7	2.4646	1.0980	3.0171	1.7861	4.0267	1.7996		2.7975	3.3263
H8	2.4646	3.0171	1.0980	4.0267	1.7861	3.3263	2.7975		1.7996
H9	2.4646	3.0171	1.0980	4.0267	1.7861	2.7975	3.3263	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.541	S1	C2	H6	111.128
S1	C2	H7	111.128	S1	C3	H5	106.541
S1	C3	H8	111.128	S1	C3	H9	111.128
C2	S1	C3	99.753	H4	C2	H6	108.940
H4	C2	H7	108.940	H5	C3	H8	108.940
H5	C3	H9	108.940	H6	C2	H7	110.059
H8	C3	H9	110.059

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

using model chemistry: BLYP/6-311G**

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	0.052
2	C	-0.437
3	C	-0.437
4	H	0.141
5	H	0.141
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135

<r²>	78.826
(<r²>)^1/2	8.878

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

using model chemistry: BLYP/6-311G**

States and conformations

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