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	hartrees
Energy at 0K	-477.775118
Energy at 298.15K
HF Energy	-477.775118
Nuclear repulsion energy	110.702888

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	3181	3025	9.98	103.05	0.67	0.80
2	A₁	3070	2920	32.07	239.08	0.00	0.00
3	A₁	1516	1441	0.14	30.20	0.75	0.86
4	A₁	1405	1336	1.67	5.22	0.22	0.36
5	A₁	1078	1025	21.48	7.71	0.56	0.72
6	A₁	719	684	3.49	14.52	0.18	0.30
7	A₁	266	253	0.06	2.20	0.61	0.76
8	A₂	3160	3005	0.00	15.48	0.75	0.86
9	A₂	1491	1418	0.00	41.51	0.75	0.86
10	A₂	976	928	0.00	7.67	0.75	0.86
11	A₂	189	179	0.00	0.11	0.75	0.86
12	B₁	3153	2999	29.34	122.81	0.75	0.86
13	B₁	1501	1428	20.07	0.00	0.75	0.86
14	B₁	1015	965	9.77	6.56	0.75	0.86
15	B₁	188	178	1.24	0.01	0.75	0.86
16	B₂	3182	3026	2.88	54.89	0.75	0.86
17	B₂	3073	2923	26.30	0.79	0.75	0.86
18	B₂	1506	1432	22.55	0.07	0.75	0.86
19	B₂	1379	1311	2.83	8.00	0.75	0.86
20	B₂	932	887	0.35	3.57	0.75	0.86
21	B₂	773	735	0.01	7.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.378	-0.511
C3	0.000	-1.378	-0.511
H4	0.000	2.302	0.073
H5	0.000	-2.302	0.073
H6	0.894	1.365	-1.143
H7	-0.894	1.365	-1.143
H8	-0.894	-1.365	-1.143
H9	0.894	-1.365	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8087	1.8087	2.3755	2.3755	2.4315	2.4315	2.4315	2.4315
C2	1.8087		2.7565	1.0930	3.7263	1.0946	1.0946	2.9536	2.9536
C3	1.8087	2.7565		3.7263	1.0930	2.9536	2.9536	1.0946	1.0946
H4	2.3755	1.0930	3.7263		4.6038	1.7763	1.7763	3.9654	3.9654
H5	2.3755	3.7263	1.0930	4.6038		3.9654	3.9654	1.7763	1.7763
H6	2.4315	1.0946	2.9536	1.7763	3.9654		1.7879	3.2634	2.7301
H7	2.4315	1.0946	2.9536	1.7763	3.9654	1.7879		2.7301	3.2634
H8	2.4315	2.9536	1.0946	3.9654	1.7763	3.2634	2.7301		1.7879
H9	2.4315	2.9536	1.0946	3.9654	1.7763	2.7301	3.2634	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.321	S1	C2	H6	111.370
S1	C2	H7	111.370	S1	C3	H5	107.321
S1	C3	H8	111.370	S1	C3	H9	111.370
C2	S1	C3	99.287	H4	C2	H6	108.585
H4	C2	H7	108.585	H5	C3	H8	108.585
H5	C3	H9	108.585	H6	C2	H7	109.509
H8	C3	H9	109.509

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

using model chemistry: HSEh1PBE/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	0.110
2	C	-0.662
3	C	-0.662
4	H	0.210
5	H	0.210
6	H	0.199
7	H	0.199
8	H	0.199
9	H	0.199

<r²>	76.069
(<r²>)^1/2	8.722

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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