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	hartrees
Energy at 0K	-477.340818
Energy at 298.15K
HF Energy	-476.785543
Nuclear repulsion energy	110.492409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3012	14.89
2	A₁	3074	2913	34.32
3	A₁	1512	1432	0.21
4	A₁	1421	1347	2.80
5	A₁	1076	1019	12.37
6	A₁	717	679	2.44
7	A₁	269	255	0.00
8	A₂	3162	2996	0.00
9	A₂	1472	1395	0.00
10	A₂	968	917	0.00
11	A₂	130	124	0.00
12	B₁	3156	2990	39.01
13	B₁	1483	1405	12.06
14	B₁	1016	962	4.12
15	B₁	182	173	1.03
16	B₂	3179	3013	7.78
17	B₂	3076	2915	30.33
18	B₂	1499	1421	13.86
19	B₂	1394	1321	8.06
20	B₂	938	888	0.03
21	B₂	768	728	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.671
C2	0.000	1.375	-0.521
C3	0.000	-1.375	-0.521
H4	0.000	2.302	0.049
H5	0.000	-2.302	0.049
H6	0.891	1.348	-1.147
H7	-0.891	1.348	-1.147
H8	-0.891	-1.348	-1.147
H9	0.891	-1.348	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8195	1.8195	2.3841	2.3841	2.4325	2.4325	2.4325	2.4325
C2	1.8195		2.7494	1.0881	3.7201	1.0892	1.0892	2.9324	2.9324
C3	1.8195	2.7494		3.7201	1.0881	2.9324	2.9324	1.0892	1.0892
H4	2.3841	1.0881	3.7201		4.6031	1.7703	1.7703	3.9426	3.9426
H5	2.3841	3.7201	1.0881	4.6031		3.9426	3.9426	1.7703	1.7703
H6	2.4325	1.0892	2.9324	1.7703	3.9426		1.7812	3.2313	2.6960
H7	2.4325	1.0892	2.9324	1.7703	3.9426	1.7812		2.6960	3.2313
H8	2.4325	2.9324	1.0892	3.9426	1.7703	3.2313	2.6960		1.7812
H9	2.4325	2.9324	1.0892	3.9426	1.7703	2.6960	3.2313	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.482	S1	C2	H6	110.995
S1	C2	H7	110.995	S1	C3	H5	107.482
S1	C3	H8	110.995	S1	C3	H9	110.995
C2	S1	C3	98.146	H4	C2	H6	108.794
H4	C2	H7	108.794	H5	C3	H8	108.794
H5	C3	H9	108.794	H6	C2	H7	109.704
H8	C3	H9	109.704

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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