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	hartrees
Energy at 0K	-478.028333
Energy at 298.15K
HF Energy	-478.028333
Nuclear repulsion energy	110.153915

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	3155	3025	14.41	108.28	0.67	0.80
2	A₁	3047	2921	35.87	258.98	0.00	0.00
3	A₁	1515	1452	0.00	29.63	0.75	0.86
4	A₁	1393	1336	3.92	5.59	0.18	0.31
5	A₁	1068	1024	17.86	8.12	0.58	0.73
6	A₁	691	663	3.75	15.90	0.17	0.30
7	A₁	255	244	0.05	2.39	0.61	0.76
8	A₂	3134	3005	0.00	16.26	0.75	0.86
9	A₂	1491	1430	0.00	40.91	0.75	0.86
10	A₂	963	924	0.00	7.94	0.75	0.86
11	A₂	184	176	0.00	0.11	0.75	0.86
12	B₁	3128	2999	40.17	126.99	0.75	0.86
13	B₁	1502	1440	14.25	0.00	0.75	0.86
14	B₁	1002	961	6.96	6.65	0.75	0.86
15	B₁	181	173	1.16	0.01	0.75	0.86
16	B₂	3156	3026	5.37	58.17	0.75	0.86
17	B₂	3050	2924	30.47	0.93	0.75	0.86
18	B₂	1506	1444	18.57	0.07	0.75	0.86
19	B₂	1366	1310	9.02	7.32	0.75	0.86
20	B₂	921	883	0.17	3.60	0.75	0.86
21	B₂	742	712	0.19	8.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.390	-0.515
C3	0.000	-1.390	-0.515
H4	0.000	2.308	0.076
H5	0.000	-2.308	0.076
H6	0.895	1.373	-1.144
H7	-0.895	1.373	-1.144
H8	-0.895	-1.373	-1.144
H9	0.895	-1.373	-1.144

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8219	1.8219	2.3812	2.3812	2.4393	2.4393	2.4393	2.4393
C2	1.8219		2.7791	1.0920	3.7442	1.0936	1.0936	2.9712	2.9712
C3	1.8219	2.7791		3.7442	1.0920	2.9712	2.9712	1.0936	1.0936
H4	2.3812	1.0920	3.7442		4.6153	1.7781	1.7781	3.9795	3.9795
H5	2.3812	3.7442	1.0920	4.6153		3.9795	3.9795	1.7781	1.7781
H6	2.4393	1.0936	2.9712	1.7781	3.9795		1.7898	3.2780	2.7462
H7	2.4393	1.0936	2.9712	1.7781	3.9795	1.7898		2.7462	3.2780
H8	2.4393	2.9712	1.0936	3.9795	1.7781	3.2780	2.7462		1.7898
H9	2.4393	2.9712	1.0936	3.9795	1.7781	2.7462	3.2780	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.924	S1	C2	H6	111.108
S1	C2	H7	111.108	S1	C3	H5	106.924
S1	C3	H8	111.108	S1	C3	H9	111.108
C2	S1	C3	99.409	H4	C2	H6	108.889
H4	C2	H7	108.889	H5	C3	H8	108.889
H5	C3	H9	108.889	H6	C2	H7	109.831
H8	C3	H9	109.831

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

using model chemistry: TPSSh/6-31G**

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	0.082
2	C	-0.506
3	C	-0.506
4	H	0.161
5	H	0.161
6	H	0.152
7	H	0.152
8	H	0.152
9	H	0.152

<r²>	76.705
(<r²>)^1/2	8.758

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

using model chemistry: TPSSh/6-31G**

States and conformations

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