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	hartrees
Energy at 0K	-477.738631
Energy at 298.15K
HF Energy	-477.738631
Nuclear repulsion energy	109.836346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3073	3058	10.74
2	A₁	2954	2939	35.09
3	A₁	1409	1402	0.31
4	A₁	1291	1285	0.49
5	A₁	1001	996	8.79
6	A₁	687	683	2.78
7	A₁	251	250	0.06
8	A₂	3048	3032	0.00
9	A₂	1386	1379	0.00
10	A₂	902	897	0.00
11	A₂	195	194	0.00
12	B₁	3038	3023	24.05
13	B₁	1395	1388	12.79
14	B₁	936	931	5.13
15	B₁	179	178	0.96
16	B₂	3075	3059	1.33
17	B₂	2957	2942	28.29
18	B₂	1403	1396	15.97
19	B₂	1267	1260	5.23
20	B₂	865	861	0.40
21	B₂	734	731	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.387	-0.516
C3	0.000	-1.387	-0.516
H4	0.000	2.320	0.078
H5	0.000	-2.320	0.078
H6	0.906	1.367	-1.154
H7	-0.906	1.367	-1.154
H8	-0.906	-1.367	-1.154
H9	0.906	-1.367	-1.154

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8216	1.8216	2.3930	2.3930	2.4497	2.4497	2.4497	2.4497
C2	1.8216		2.7731	1.1059	3.7534	1.1080	1.1080	2.9685	2.9685
C3	1.8216	2.7731		3.7534	1.1059	2.9685	2.9685	1.1080	1.1080
H4	2.3930	1.1059	3.7534		4.6393	1.8011	1.8011	3.9915	3.9915
H5	2.3930	3.7534	1.1059	4.6393		3.9915	3.9915	1.8011	1.8011
H6	2.4497	1.1080	2.9685	1.8011	3.9915		1.8111	3.2802	2.7349
H7	2.4497	1.1080	2.9685	1.8011	3.9915	1.8111		2.7349	3.2802
H8	2.4497	2.9685	1.1080	3.9915	1.8011	3.2802	2.7349		1.8111
H9	2.4497	2.9685	1.1080	3.9915	1.8011	2.7349	3.2802	1.8111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.111	S1	C2	H6	111.130
S1	C2	H7	111.130	S1	C3	H5	107.111
S1	C3	H8	111.130	S1	C3	H9	111.130
C2	S1	C3	99.136	H4	C2	H6	108.884
H4	C2	H7	108.884	H5	C3	H8	108.884
H5	C3	H9	108.884	H6	C2	H7	109.620
H8	C3	H9	109.620

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

using model chemistry: PBEPBE/Sadlej_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	-0.072
2	C	2.365
3	C	2.365
4	H	-0.820
5	H	-0.820
6	H	-0.755
7	H	-0.755
8	H	-0.755
9	H	-0.755

<r²>	77.393
(<r²>)^1/2	8.797

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

using model chemistry: PBEPBE/Sadlej_pVTZ

States and conformations

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