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	hartrees
Energy at 0K	-477.700275
Energy at 298.15K	-477.706290
HF Energy	-477.700275
Nuclear repulsion energy	109.758587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	3040	10.95
2	A₁	2982	2933	33.89
3	A₁	1470	1445	0.01
4	A₁	1354	1332	2.24
5	A₁	1040	1023	21.04
6	A₁	683	671	3.33
7	A₁	255	251	0.10
8	A₂	3067	3016	0.00
9	A₂	1445	1421	0.00
10	A₂	940	925	0.00
11	A₂	185	182	0.00
12	B₁	3059	3009	32.74
13	B₁	1454	1430	18.23
14	B₁	980	964	10.96
15	B₁	180	177	1.26
16	B₂	3092	3041	2.92
17	B₂	2985	2936	26.99
18	B₂	1460	1436	23.17
19	B₂	1328	1306	4.15
20	B₂	900	885	0.49
21	B₂	732	720	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.391	-0.516
C3	0.000	-1.391	-0.516
H4	0.000	2.319	0.077
H5	0.000	-2.319	0.077
H6	0.901	1.379	-1.152
H7	-0.901	1.379	-1.152
H8	-0.901	-1.379	-1.152
H9	0.901	-1.379	-1.152

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8249	1.8249	2.3922	2.3922	2.4529	2.4529	2.4529	2.4529
C2	1.8249		2.7816	1.1013	3.7566	1.1032	1.1032	2.9812	2.9812
C3	1.8249	2.7816		3.7566	1.1013	2.9812	2.9812	1.1032	1.1032
H4	2.3922	1.1013	3.7566		4.6375	1.7906	1.7906	3.9993	3.9993
H5	2.3922	3.7566	1.1013	4.6375		3.9993	3.9993	1.7906	1.7906
H6	2.4529	1.1032	2.9812	1.7906	3.9993		1.8025	3.2944	2.7576
H7	2.4529	1.1032	2.9812	1.7906	3.9993	1.8025		2.7576	3.2944
H8	2.4529	2.9812	1.1032	3.9993	1.7906	3.2944	2.7576		1.8025
H9	2.4529	2.9812	1.1032	3.9993	1.7906	2.7576	3.2944	1.8025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.071	S1	C2	H6	111.406
S1	C2	H7	111.406	S1	C3	H5	107.071
S1	C3	H8	111.406	S1	C3	H9	111.406
C2	S1	C3	99.305	H4	C2	H6	108.641
H4	C2	H7	108.641	H5	C3	H8	108.641
H5	C3	H9	108.641	H6	C2	H7	109.570
H8	C3	H9	109.570

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

using model chemistry: PBEPBEultrafine/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	0.100
2	C	-0.626
3	C	-0.626
4	H	0.199
5	H	0.199
6	H	0.189
7	H	0.189
8	H	0.189
9	H	0.189

	x	y	z
x	4.578	0.000	0.000
y	0.000	6.981	-0.005
z	0.000	-0.005	5.666

<r²>	77.106
(<r²>)^1/2	8.781

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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