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	hartrees
Energy at 0K	-474.129141
Energy at 298.15K
HF Energy	-474.129141
Nuclear repulsion energy	108.373382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	3068	2.66
2	A₁	2999	2950	17.78
3	A₁	1482	1458	1.78
4	A₁	1356	1333	0.14
5	A₁	1041	1024	25.85
6	A₁	658	648	3.66
7	A₁	239	235	0.11
8	A₂	3102	3051	0.00
9	A₂	1463	1439	0.00
10	A₂	938	923	0.00
11	A₂	173	170	0.00
12	B₁	3094	3043	15.65
13	B₁	1474	1450	40.03
14	B₁	977	961	17.71
15	B₁	166	164	1.10
16	B₂	3120	3069	0.11
17	B₂	3004	2955	9.86
18	B₂	1470	1446	33.05
19	B₂	1328	1306	0.25
20	B₂	914	899	1.54
21	B₂	698	687	0.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.697
C2	0.000	1.394	-0.545
C3	0.000	-1.394	-0.545
H4	0.000	2.333	0.029
H5	0.000	-2.333	0.029
H6	0.906	1.339	-1.170
H7	-0.906	1.339	-1.170
H8	-0.906	-1.339	-1.170
H9	0.906	-1.339	-1.170

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8670	1.8670	2.4266	2.4266	2.4694	2.4694	2.4694	2.4694
C2	1.8670		2.7872	1.1003	3.7701	1.1016	1.1016	2.9454	2.9454
C3	1.8670	2.7872		3.7701	1.1003	2.9454	2.9454	1.1016	1.1016
H4	2.4266	1.1003	3.7701		4.6653	1.8012	1.8012	3.9666	3.9666
H5	2.4266	3.7701	1.1003	4.6653		3.9666	3.9666	1.8012	1.8012
H6	2.4694	1.1016	2.9454	1.8012	3.9666		1.8115	3.2325	2.6771
H7	2.4694	1.1016	2.9454	1.8012	3.9666	1.8115		2.6771	3.2325
H8	2.4694	2.9454	1.1016	3.9666	1.8012	3.2325	2.6771		1.8115
H9	2.4694	2.9454	1.1016	3.9666	1.8012	2.6771	3.2325	1.8115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.868	S1	C2	H6	109.877
S1	C2	H7	109.877	S1	C3	H5	106.868
S1	C3	H8	109.877	S1	C3	H9	109.877
C2	S1	C3	96.569	H4	C2	H6	109.767
H4	C2	H7	109.767	H5	C3	H8	109.767
H5	C3	H9	109.767	H6	C2	H7	110.610
H8	C3	H9	110.610

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

using model chemistry: LSDA/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	0.260
2	C	-0.881
3	C	-0.881
4	H	0.259
5	H	0.259
6	H	0.246
7	H	0.246
8	H	0.246
9	H	0.246

<r²>	78.364
(<r²>)^1/2	8.852

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

using model chemistry: LSDA/3-21G

States and conformations

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