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	hartrees
Energy at 0K	-478.035194
Energy at 298.15K
HF Energy	-478.035194
Nuclear repulsion energy	111.018148

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	3156	3156	10.04	94.02	0.64	0.78
2	A₁	3049	3049	32.65	342.57	0.00	0.00
3	A₁	1493	1493	1.13	7.58	0.75	0.86
4	A₁	1375	1375	0.26	0.80	0.11	0.20
5	A₁	1058	1058	10.55	0.35	0.20	0.33
6	A₁	710	710	2.61	20.15	0.08	0.15
7	A₁	271	271	0.05	3.01	0.64	0.78
8	A₂	3135	3135	0.00	18.60	0.75	0.86
9	A₂	1471	1471	0.00	10.29	0.75	0.86
10	A₂	962	962	0.00	0.12	0.75	0.86
11	A₂	182	182	0.00	0.08	0.75	0.86
12	B₁	3127	3127	23.68	122.32	0.75	0.86
13	B₁	1481	1481	15.50	0.04	0.75	0.86
14	B₁	997	997	4.55	0.01	0.75	0.86
15	B₁	188	188	0.92	0.05	0.75	0.86
16	B₂	3157	3157	3.09	46.97	0.75	0.86
17	B₂	3053	3053	27.71	4.63	0.75	0.86
18	B₂	1486	1486	15.89	0.12	0.75	0.86
19	B₂	1352	1352	3.12	0.05	0.75	0.86
20	B₂	921	921	0.37	0.14	0.75	0.86
21	B₂	763	763	0.06	7.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.659
C2	0.000	1.375	-0.512
C3	0.000	-1.375	-0.512
H4	0.000	2.295	0.068
H5	0.000	-2.295	0.068
H6	0.891	1.352	-1.137
H7	-0.891	1.352	-1.137
H8	-0.891	-1.352	-1.137
H9	0.891	-1.352	-1.137

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8062	1.8062	2.3702	2.3702	2.4188	2.4188	2.4188	2.4188
C2	1.8062		2.7503	1.0876	3.7159	1.0891	1.0891	2.9364	2.9364
C3	1.8062	2.7503		3.7159	1.0876	2.9364	2.9364	1.0891	1.0891
H4	2.3702	1.0876	3.7159		4.5905	1.7712	1.7712	3.9433	3.9433
H5	2.3702	3.7159	1.0876	4.5905		3.9433	3.9433	1.7712	1.7712
H6	2.4188	1.0891	2.9364	1.7712	3.9433		1.7819	3.2383	2.7039
H7	2.4188	1.0891	2.9364	1.7712	3.9433	1.7819		2.7039	3.2383
H8	2.4188	2.9364	1.0891	3.9433	1.7712	3.2383	2.7039		1.7819
H9	2.4188	2.9364	1.0891	3.9433	1.7712	2.7039	3.2383	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.367	S1	C2	H6	110.877
S1	C2	H7	110.877	S1	C3	H5	107.367
S1	C3	H8	110.877	S1	C3	H9	110.877
C2	S1	C3	99.166	H4	C2	H6	108.928
H4	C2	H7	108.928	H5	C3	H8	108.928
H5	C3	H9	108.928	H6	C2	H7	109.792
H8	C3	H9	109.792

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

using model chemistry: wB97X-D/daug-cc-pVTZ

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	-0.230
2	C	-1.145
3	C	-1.145
4	H	0.457
5	H	0.457
6	H	0.401
7	H	0.401
8	H	0.401
9	H	0.401

<r²>	75.856
(<r²>)^1/2	8.710

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

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

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