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	hartrees
Energy at 0K	-477.165592
Energy at 298.15K
HF Energy	-476.734580
Nuclear repulsion energy	110.528060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3021	13.45
2	A₁	3072	2925	30.06
3	A₁	1539	1466	0.06
4	A₁	1442	1373	1.74
5	A₁	1097	1044	18.20
6	A₁	728	693	2.43
7	A₁	280	266	0.01
8	A₂	3157	3006	0.00
9	A₂	1512	1440	0.00
10	A₂	1002	954	0.00
11	A₂	184	175	0.00
12	B₁	3151	3001	34.00
13	B₁	1523	1450	16.14
14	B₁	1038	989	6.91
15	B₁	191	182	0.95
16	B₂	3173	3021	6.23
17	B₂	3074	2927	26.46
18	B₂	1531	1458	17.61
19	B₂	1417	1350	3.85
20	B₂	958	912	0.07
21	B₂	784	746	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.667
C2	0.000	1.375	-0.516
C3	0.000	-1.375	-0.516
H4	0.000	2.306	0.058
H5	0.000	-2.306	0.058
H6	0.894	1.354	-1.149
H7	-0.894	1.354	-1.149
H8	-0.894	-1.354	-1.149
H9	0.894	-1.354	-1.149

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8135	1.8135	2.3853	2.3853	2.4349	2.4349	2.4349	2.4349
C2	1.8135		2.7492	1.0946	3.7255	1.0957	1.0957	2.9399	2.9399
C3	1.8135	2.7492		3.7255	1.0946	2.9399	2.9399	1.0957	1.0957
H4	2.3853	1.0946	3.7255		4.6128	1.7789	1.7789	3.9563	3.9563
H5	2.3853	3.7255	1.0946	4.6128		3.9563	3.9563	1.7789	1.7789
H6	2.4349	1.0957	2.9399	1.7789	3.9563		1.7887	3.2448	2.7072
H7	2.4349	1.0957	2.9399	1.7789	3.9563	1.7887		2.7072	3.2448
H8	2.4349	2.9399	1.0957	3.9563	1.7789	3.2448	2.7072		1.7887
H9	2.4349	2.9399	1.0957	3.9563	1.7789	2.7072	3.2448	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.639	S1	C2	H6	111.231
S1	C2	H7	111.231	S1	C3	H5	107.639
S1	C3	H8	111.231	S1	C3	H9	111.231
C2	S1	C3	98.572	H4	C2	H6	108.619
H4	C2	H7	108.619	H5	C3	H8	108.619
H5	C3	H9	108.619	H6	C2	H7	109.416
H8	C3	H9	109.416

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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