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	hartrees
Energy at 0K	-477.380159
Energy at 298.15K
HF Energy	-476.802227
Nuclear repulsion energy	110.976591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	2958	10.74
2	A₁	3065	2861	27.92
3	A₁	1511	1411	0.39
4	A₁	1389	1297	0.52
5	A₁	1066	995	9.57
6	A₁	723	675	2.25
7	A₁	266	249	0.03
8	A₂	3152	2943	0.00
9	A₂	1487	1388	0.00
10	A₂	969	905	0.00
11	A₂	175	164	0.00
12	B₁	3146	2937	27.61
13	B₁	1496	1397	13.17
14	B₁	1004	937	3.94
15	B₁	188	175	0.93
16	B₂	3169	2959	3.92
17	B₂	3068	2864	25.85
18	B₂	1503	1404	13.75
19	B₂	1365	1275	5.73
20	B₂	927	865	0.22
21	B₂	777	726	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.370	-0.516
C3	0.000	-1.370	-0.516
H4	0.000	2.295	0.056
H5	0.000	-2.295	0.056
H6	0.890	1.343	-1.142
H7	-0.890	1.343	-1.142
H8	-0.890	-1.343	-1.142
H9	0.890	-1.343	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8087	1.8087	2.3744	2.3744	2.4210	2.4210	2.4210	2.4210
C2	1.8087		2.7401	1.0874	3.7093	1.0886	1.0886	2.9234	2.9234
C3	1.8087	2.7401		3.7093	1.0874	2.9234	2.9234	1.0886	1.0886
H4	2.3744	1.0874	3.7093		4.5899	1.7701	1.7701	3.9324	3.9324
H5	2.3744	3.7093	1.0874	4.5899		3.9324	3.9324	1.7701	1.7701
H6	2.4210	1.0886	2.9234	1.7701	3.9324		1.7803	3.2228	2.6864
H7	2.4210	1.0886	2.9234	1.7701	3.9324	1.7803		2.6864	3.2228
H8	2.4210	2.9234	1.0886	3.9324	1.7701	3.2228	2.6864		1.7803
H9	2.4210	2.9234	1.0886	3.9324	1.7701	2.6864	3.2228	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.514	S1	C2	H6	110.905
S1	C2	H7	110.905	S1	C3	H5	107.514
S1	C3	H8	110.905	S1	C3	H9	110.905
C2	S1	C3	98.485	H4	C2	H6	108.869
H4	C2	H7	108.869	H5	C3	H8	108.869
H5	C3	H9	108.869	H6	C2	H7	109.710
H8	C3	H9	109.710

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

using model chemistry: CCD/cc-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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All results from a given calculation for CH3SCH3 (Dimethyl sulfide)

using model chemistry: CCD/cc-pVTZ

States and conformations

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