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	hartrees
Energy at 0K	-477.976896
Energy at 298.15K
HF Energy	-477.976896
Nuclear repulsion energy	110.842236

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	3172	3172	6.74	105.73	0.67	0.80
2	A₁	3067	3067	31.30	271.13	0.00	0.00
3	A₁	1494	1494	0.67	18.30	0.73	0.85
4	A₁	1383	1383	1.55	0.72	0.72	0.84
5	A₁	1064	1064	20.87	4.02	0.50	0.67
6	A₁	714	714	3.71	18.45	0.16	0.27
7	A₁	269	269	0.04	2.86	0.63	0.77
8	A₂	3155	3155	0.00	13.88	0.75	0.86
9	A₂	1468	1468	0.00	24.67	0.75	0.86
10	A₂	963	963	0.00	5.23	0.75	0.86
11	A₂	176	176	0.00	0.16	0.75	0.86
12	B₁	3148	3148	23.00	121.67	0.75	0.86
13	B₁	1479	1479	21.20	0.04	0.75	0.86
14	B₁	1004	1004	16.13	2.31	0.75	0.86
15	B₁	191	191	1.04	0.17	0.75	0.86
16	B₂	3173	3173	2.29	48.01	0.75	0.86
17	B₂	3071	3071	22.03	1.01	0.75	0.86
18	B₂	1484	1484	18.71	0.00	0.75	0.86
19	B₂	1356	1356	3.10	3.01	0.75	0.86
20	B₂	923	923	0.24	1.99	0.75	0.86
21	B₂	765	765	0.05	10.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.371	-0.517
C3	0.000	-1.371	-0.517
H4	0.000	2.296	0.057
H5	0.000	-2.296	0.057
H6	0.893	1.343	-1.143
H7	-0.893	1.343	-1.143
H8	-0.893	-1.343	-1.143
H9	0.893	-1.343	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8111	1.8111	2.3755	2.3755	2.4238	2.4238	2.4238	2.4238
C2	1.8111		2.7414	1.0891	3.7114	1.0905	1.0905	2.9247	2.9247
C3	1.8111	2.7414		3.7114	1.0891	2.9247	2.9247	1.0905	1.0905
H4	2.3755	1.0891	3.7114		4.5920	1.7734	1.7734	3.9346	3.9346
H5	2.3755	3.7114	1.0891	4.5920		3.9346	3.9346	1.7734	1.7734
H6	2.4238	1.0905	2.9247	1.7734	3.9346		1.7857	3.2257	2.6863
H7	2.4238	1.0905	2.9247	1.7734	3.9346	1.7857		2.6863	3.2257
H8	2.4238	2.9247	1.0905	3.9346	1.7734	3.2257	2.6863		1.7857
H9	2.4238	2.9247	1.0905	3.9346	1.7734	2.6863	3.2257	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.355	S1	C2	H6	110.844
S1	C2	H7	110.844	S1	C3	H5	107.355
S1	C3	H8	110.844	S1	C3	H9	110.844
C2	S1	C3	98.374	H4	C2	H6	108.906
H4	C2	H7	108.906	H5	C3	H8	108.906
H5	C3	H9	108.906	H6	C2	H7	109.912
H8	C3	H9	109.912

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

using model chemistry: M06-2X/6-311G**

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	0.085
2	C	-0.544
3	C	-0.544
4	H	0.173
5	H	0.173
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.165

<r²>	76.172
(<r²>)^1/2	8.728

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

using model chemistry: M06-2X/6-311G**

States and conformations

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