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	hartrees
Energy at 0K	-477.162041
Energy at 298.15K	-477.168211
HF Energy	-476.734683
Nuclear repulsion energy	110.613675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3016	12.13
2	A₁	3084	2919	27.80
3	A₁	1543	1460	0.13
4	A₁	1447	1369	1.46
5	A₁	1100	1041	18.77
6	A₁	734	695	2.38
7	A₁	280	265	0.01
8	A₂	3173	3003	0.00
9	A₂	1515	1434	0.00
10	A₂	1005	951	0.00
11	A₂	182	172	0.00
12	B₁	3167	2998	30.63
13	B₁	1526	1444	16.91
14	B₁	1041	986	7.18
15	B₁	189	179	0.98
16	B₂	3187	3017	4.97
17	B₂	3087	2922	23.95
18	B₂	1534	1452	17.78
19	B₂	1423	1347	2.89
20	B₂	961	909	0.10
21	B₂	791	749	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.375	-0.515
C3	0.000	-1.375	-0.515
H4	0.000	2.302	0.066
H5	0.000	-2.302	0.066
H6	0.895	1.358	-1.147
H7	-0.895	1.358	-1.147
H8	-0.895	-1.358	-1.147
H9	0.895	-1.358	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8117	1.8117	2.3784	2.3784	2.4341	2.4341	2.4341	2.4341
C2	1.8117		2.7500	1.0941	3.7225	1.0953	1.0953	2.9439	2.9439
C3	1.8117	2.7500		3.7225	1.0941	2.9439	2.9439	1.0953	1.0953
H4	2.3784	1.0941	3.7225		4.6037	1.7786	1.7786	3.9577	3.9577
H5	2.3784	3.7225	1.0941	4.6037		3.9577	3.9577	1.7786	1.7786
H6	2.4341	1.0953	2.9439	1.7786	3.9577		1.7890	3.2517	2.7153
H7	2.4341	1.0953	2.9439	1.7786	3.9577	1.7890		2.7153	3.2517
H8	2.4341	2.9439	1.0953	3.9577	1.7786	3.2517	2.7153		1.7890
H9	2.4341	2.9439	1.0953	3.9577	1.7786	2.7153	3.2517	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.278	S1	C2	H6	111.321
S1	C2	H7	111.321	S1	C3	H5	107.278
S1	C3	H8	111.321	S1	C3	H9	111.321
C2	S1	C3	98.744	H4	C2	H6	108.657
H4	C2	H7	108.657	H5	C3	H8	108.657
H5	C3	H9	108.657	H6	C2	H7	109.510
H8	C3	H9	109.510

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

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

using model chemistry: CCD/6-31G*

States and conformations

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