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	hartrees
Energy at 0K	-478.020878
Energy at 298.15K	-478.026944
HF Energy	-478.020878
Nuclear repulsion energy	110.104481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3030	14.94
2	A₁	3055	2931	37.09
3	A₁	1530	1468	0.00
4	A₁	1407	1350	4.11
5	A₁	1075	1032	19.09
6	A₁	691	663	3.86
7	A₁	252	242	0.06
8	A₂	3138	3011	0.00
9	A₂	1507	1445	0.00
10	A₂	971	931	0.00
11	A₂	186	179	0.00
12	B₁	3132	3005	41.67
13	B₁	1517	1455	14.94
14	B₁	1010	969	7.56
15	B₁	183	176	1.20
16	B₂	3159	3031	6.07
17	B₂	3057	2933	31.45
18	B₂	1521	1460	19.29
19	B₂	1380	1324	9.01
20	B₂	929	891	0.16
21	B₂	742	712	0.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.388	-0.515
C3	0.000	-1.388	-0.515
H4	0.000	2.307	0.077
H5	0.000	-2.307	0.077
H6	0.895	1.375	-1.145
H7	-0.895	1.375	-1.145
H8	-0.895	-1.375	-1.145
H9	0.895	-1.375	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8197	1.8197	2.3798	2.3798	2.4414	2.4414	2.4414	2.4414
C2	1.8197		2.7752	1.0931	3.7414	1.0951	1.0951	2.9717	2.9717
C3	1.8197	2.7752		3.7414	1.0931	2.9717	2.9717	1.0951	1.0951
H4	2.3798	1.0931	3.7414		4.6133	1.7786	1.7786	3.9812	3.9812
H5	2.3798	3.7414	1.0931	4.6133		3.9812	3.9812	1.7786	1.7786
H6	2.4414	1.0951	2.9717	1.7786	3.9812		1.7905	3.2815	2.7500
H7	2.4414	1.0951	2.9717	1.7786	3.9812	1.7905		2.7500	3.2815
H8	2.4414	2.9717	1.0951	3.9812	1.7786	3.2815	2.7500		1.7905
H9	2.4414	2.9717	1.0951	3.9812	1.7786	2.7500	3.2815	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.913	S1	C2	H6	111.329
S1	C2	H7	111.329	S1	C3	H5	106.913
S1	C3	H8	111.329	S1	C3	H9	111.329
C2	S1	C3	99.375	H4	C2	H6	108.746
H4	C2	H7	108.746	H5	C3	H8	108.746
H5	C3	H9	108.746	H6	C2	H7	109.676
H8	C3	H9	109.676

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	0.088
2	C	-0.618
3	C	-0.618
4	H	0.198
5	H	0.198
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	76.748
(<r²>)^1/2	8.761

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)