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	hartrees
Energy at 0K	-472.664615
Energy at 298.15K
HF Energy	-472.664615
Nuclear repulsion energy	110.914945

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	3549	3549	0.37	44.44	0.69	0.82
2	A₁	3361	3361	1.87	79.14	0.00	0.01
3	A₁	1710	1710	0.67	28.15	0.74	0.85
4	A₁	1580	1580	0.02	2.87	0.67	0.80
5	A₁	1160	1160	14.44	6.95	0.62	0.76
6	A₁	860	860	0.56	14.97	0.18	0.30
7	A₁	316	316	0.11	1.08	0.56	0.71
8	A₂	3523	3523	0.00	4.76	0.75	0.86
9	A₂	1690	1690	0.00	36.31	0.75	0.86
10	A₂	1068	1068	0.00	4.57	0.75	0.86
11	A₂	179	179	0.00	0.08	0.75	0.86
12	B₁	3521	3521	5.55	44.39	0.75	0.86
13	B₁	1691	1691	9.36	0.39	0.75	0.86
14	B₁	1097	1097	1.47	4.27	0.75	0.86
15	B₁	187	187	0.61	0.00	0.75	0.86
16	B₂	3548	3548	0.45	21.57	0.75	0.86
17	B₂	3363	3363	1.40	0.25	0.75	0.86
18	B₂	1707	1707	9.47	0.10	0.75	0.86
19	B₂	1553	1553	8.75	4.79	0.75	0.86
20	B₂	1032	1032	0.28	1.12	0.75	0.86
21	B₂	908	908	0.15	8.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.681
C2	0.000	1.349	-0.522
C3	0.000	-1.349	-0.522
H4	0.000	2.300	0.020
H5	0.000	-2.300	0.020
H6	0.888	1.322	-1.166
H7	-0.888	1.322	-1.166
H8	-0.888	-1.322	-1.166
H9	0.888	-1.322	-1.166

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8072	1.8072	2.3934	2.3934	2.4389	2.4389	2.4389	2.4389
C2	1.8072		2.6975	1.0950	3.6890	1.0974	1.0974	2.8876	2.8876
C3	1.8072	2.6975		3.6890	1.0950	2.8876	2.8876	1.0974	1.0974
H4	2.3934	1.0950	3.6890		4.6005	1.7752	1.7752	3.9138	3.9138
H5	2.3934	3.6890	1.0950	4.6005		3.9138	3.9138	1.7752	1.7752
H6	2.4389	1.0974	2.8876	1.7752	3.9138		1.7761	3.1857	2.6446
H7	2.4389	1.0974	2.8876	1.7752	3.9138	1.7761		2.6446	3.1857
H8	2.4389	2.8876	1.0974	3.9138	1.7752	3.1857	2.6446		1.7761
H9	2.4389	2.8876	1.0974	3.9138	1.7752	2.6446	3.1857	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.618	S1	C2	H6	111.881
S1	C2	H7	111.881	S1	C3	H5	108.618
S1	C3	H8	111.881	S1	C3	H9	111.881
C2	S1	C3	96.547	H4	C2	H6	108.140
H4	C2	H7	108.140	H5	C3	H8	108.140
H5	C3	H9	108.140	H6	C2	H7	108.049
H8	C3	H9	108.049

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

using model chemistry: M06-2X/STO-3G

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	0.159
2	C	-0.301
3	C	-0.301
4	H	0.078
5	H	0.078
6	H	0.072
7	H	0.072
8	H	0.072
9	H	0.072

<r²>	74.113
(<r²>)^1/2	8.609

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

using model chemistry: M06-2X/STO-3G

States and conformations

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