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	hartrees
Energy at 0K	-476.755240
Energy at 298.15K
HF Energy	-476.755240
Nuclear repulsion energy	111.076784

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	3277	2968	16.24	98.54	0.70	0.82
2	A₁	3181	2881	31.96	212.18	0.00	0.00
3	A₁	1609	1457	0.14	20.96	0.75	0.86
4	A₁	1496	1355	2.82	0.35	0.59	0.74
5	A₁	1145	1037	13.71	4.52	0.46	0.63
6	A₁	745	674	4.17	25.15	0.13	0.23
7	A₁	283	257	0.05	2.00	0.60	0.75
8	A₂	3265	2957	0.00	13.64	0.75	0.86
9	A₂	1584	1434	0.00	27.61	0.75	0.86
10	A₂	1034	937	0.00	3.05	0.75	0.86
11	A₂	194	176	0.00	0.08	0.75	0.86
12	B₁	3262	2953	35.88	112.77	0.75	0.86
13	B₁	1594	1444	11.80	0.02	0.75	0.86
14	B₁	1071	970	3.61	2.80	0.75	0.86
15	B₁	202	183	1.00	0.01	0.75	0.86
16	B₂	3277	2968	6.58	52.18	0.75	0.86
17	B₂	3182	2882	36.65	0.00	0.75	0.86
18	B₂	1601	1449	13.56	0.02	0.75	0.86
19	B₂	1470	1331	12.59	0.98	0.75	0.86
20	B₂	989	895	0.15	1.27	0.75	0.86
21	B₂	808	732	0.92	12.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.651
C2	0.000	1.386	-0.506
C3	0.000	-1.386	-0.506
H4	0.000	2.295	0.083
H5	0.000	-2.295	0.083
H6	0.886	1.372	-1.129
H7	-0.886	1.372	-1.129
H8	-0.886	-1.372	-1.129
H9	0.886	-1.372	-1.129

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8052	1.8052	2.3637	2.3637	2.4156	2.4156	2.4156	2.4156
C2	1.8052		2.7721	1.0827	3.7274	1.0833	1.0833	2.9633	2.9633
C3	1.8052	2.7721		3.7274	1.0827	2.9633	2.9633	1.0833	1.0833
H4	2.3637	1.0827	3.7274		4.5891	1.7621	1.7621	3.9622	3.9622
H5	2.3637	3.7274	1.0827	4.5891		3.9622	3.9622	1.7621	1.7621
H6	2.4156	1.0833	2.9633	1.7621	3.9622		1.7718	3.2666	2.7443
H7	2.4156	1.0833	2.9633	1.7621	3.9622	1.7718		2.7443	3.2666
H8	2.4156	2.9633	1.0833	3.9622	1.7621	3.2666	2.7443		1.7718
H9	2.4156	2.9633	1.0833	3.9622	1.7621	2.7443	3.2666	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.206	S1	C2	H6	111.024
S1	C2	H7	111.024	S1	C3	H5	107.206
S1	C3	H8	111.024	S1	C3	H9	111.024
C2	S1	C3	100.318	H4	C2	H6	108.890
H4	C2	H7	108.890	H5	C3	H8	108.890
H5	C3	H9	108.890	H6	C2	H7	109.728
H8	C3	H9	109.728

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

using model chemistry: HF/6-31G(2df,p)

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	-0.075
2	C	-0.444
3	C	-0.444
4	H	0.169
5	H	0.169
6	H	0.156
7	H	0.156
8	H	0.156
9	H	0.156

<r²>	76.082
(<r²>)^1/2	8.723

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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