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	hartrees
Energy at 0K	-478.029195
Energy at 298.15K
HF Energy	-478.029195
Nuclear repulsion energy	111.253491

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	3149	3149	10.13	91.01	0.63	0.77
2	A₁	3041	3041	31.23	297.33	0.00	0.00
3	A₁	1494	1494	1.09	7.83	0.74	0.85
4	A₁	1377	1377	0.14	0.80	0.12	0.21
5	A₁	1058	1058	11.00	0.50	0.23	0.37
6	A₁	715	715	2.42	19.21	0.07	0.13
7	A₁	272	272	0.06	2.88	0.62	0.77
8	A₂	3128	3128	0.00	18.76	0.75	0.86
9	A₂	1471	1471	0.00	10.85	0.75	0.86
10	A₂	961	961	0.00	0.13	0.75	0.86
11	A₂	184	184	0.00	0.09	0.75	0.86
12	B₁	3120	3120	22.93	118.23	0.75	0.86
13	B₁	1481	1481	16.56	0.07	0.75	0.86
14	B₁	996	996	4.51	0.01	0.75	0.86
15	B₁	191	191	0.94	0.04	0.75	0.86
16	B₂	3149	3149	2.57	46.18	0.75	0.86
17	B₂	3045	3045	29.19	3.73	0.75	0.86
18	B₂	1486	1486	16.68	0.14	0.75	0.86
19	B₂	1354	1354	2.58	0.06	0.75	0.86
20	B₂	918	918	0.47	0.26	0.75	0.86
21	B₂	769	769	0.01	7.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.656
C2	0.000	1.372	-0.509
C3	0.000	-1.372	-0.509
H4	0.000	2.292	0.073
H5	0.000	-2.292	0.073
H6	0.891	1.353	-1.136
H7	-0.891	1.353	-1.136
H8	-0.891	-1.353	-1.136
H9	0.891	-1.353	-1.136

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8001	1.8001	2.3646	2.3646	2.4157	2.4157	2.4157	2.4157
C2	1.8001		2.7445	1.0881	3.7098	1.0896	1.0896	2.9349	2.9349
C3	1.8001	2.7445		3.7098	1.0881	2.9349	2.9349	1.0896	1.0896
H4	2.3646	1.0881	3.7098		4.5832	1.7710	1.7710	3.9419	3.9419
H5	2.3646	3.7098	1.0881	4.5832		3.9419	3.9419	1.7710	1.7710
H6	2.4157	1.0896	2.9349	1.7710	3.9419		1.7821	3.2401	2.7060
H7	2.4157	1.0896	2.9349	1.7710	3.9419	1.7821		2.7060	3.2401
H8	2.4157	2.9349	1.0896	3.9419	1.7710	3.2401	2.7060		1.7821
H9	2.4157	2.9349	1.0896	3.9419	1.7710	2.7060	3.2401	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.330	S1	C2	H6	111.033
S1	C2	H7	111.033	S1	C3	H5	107.330
S1	C3	H8	111.033	S1	C3	H9	111.033
C2	S1	C3	99.335	H4	C2	H6	108.823
H4	C2	H7	108.823	H5	C3	H8	108.823
H5	C3	H9	108.823	H6	C2	H7	109.719
H8	C3	H9	109.719

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.113
2	C	-0.477
3	C	-0.477
4	H	0.176
5	H	0.176
6	H	0.179
7	H	0.179
8	H	0.179
9	H	0.179

<r²>	75.639
(<r²>)^1/2	8.697

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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