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	hartrees
Energy at 0K	-477.383022
Energy at 298.15K
HF Energy	-476.802195
Nuclear repulsion energy	110.922424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	2974	11.44
2	A₁	3059	2879	29.03
3	A₁	1509	1420	0.33
4	A₁	1387	1305	0.61
5	A₁	1064	1001	9.44
6	A₁	719	676	2.28
7	A₁	266	250	0.03
8	A₂	3143	2958	0.00
9	A₂	1485	1398	0.00
10	A₂	967	910	0.00
11	A₂	175	165	0.00
12	B₁	3137	2952	29.28
13	B₁	1494	1406	12.86
14	B₁	1002	943	3.84
15	B₁	187	176	0.92
16	B₂	3160	2975	4.49
17	B₂	3061	2881	27.01
18	B₂	1501	1413	13.69
19	B₂	1362	1282	6.35
20	B₂	924	870	0.19
21	B₂	773	728	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.371	-0.516
C3	0.000	-1.371	-0.516
H4	0.000	2.296	0.056
H5	0.000	-2.296	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		1.8098	1.8098	2.3754	2.3754	2.4221	2.4221	2.4221	2.4221
C2	1.8098		2.7411	1.0878	3.7107	1.0890	1.0890	2.9240	2.9240
C3	1.8098	2.7411		3.7107	1.0878	2.9240	2.9240	1.0890	1.0890
H4	2.3754	1.0878	3.7107		4.5916	1.7710	1.7710	3.9334	3.9334
H5	2.3754	3.7107	1.0878	4.5916		3.9334	3.9334	1.7710	1.7710
H6	2.4221	1.0890	2.9240	1.7710	3.9334		1.7810	3.2232	2.6864
H7	2.4221	1.0890	2.9240	1.7710	3.9334	1.7810		2.6864	3.2232
H8	2.4221	2.9240	1.0890	3.9334	1.7710	3.2232	2.6864		1.7810
H9	2.4221	2.9240	1.0890	3.9334	1.7710	2.6864	3.2232	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.502	S1	C2	H6	110.888
S1	C2	H7	110.888	S1	C3	H5	107.502
S1	C3	H8	110.888	S1	C3	H9	110.888
C2	S1	C3	98.456	H4	C2	H6	108.891
H4	C2	H7	108.891	H5	C3	H8	108.891
H5	C3	H9	108.891	H6	C2	H7	109.713
H8	C3	H9	109.713

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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