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	hartrees
Energy at 0K	-477.264053
Energy at 298.15K
HF Energy	-476.763670
Nuclear repulsion energy	109.768064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3049	13.51
2	A₁	3038	2943	33.52
3	A₁	1475	1429	0.26
4	A₁	1361	1319	1.31
5	A₁	1050	1017	8.23
6	A₁	702	680	2.45
7	A₁	262	254	0.02
8	A₂	3128	3030	0.00
9	A₂	1452	1407	0.00
10	A₂	949	919	0.00
11	A₂	168	163	0.00
12	B₁	3122	3024	28.78
13	B₁	1464	1418	10.95
14	B₁	985	954	3.21
15	B₁	181	175	0.71
16	B₂	3147	3049	6.62
17	B₂	3041	2946	29.57
18	B₂	1467	1421	11.92
19	B₂	1335	1293	8.68
20	B₂	914	885	0.09
21	B₂	755	731	0.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.675
C2	0.000	1.381	-0.523
C3	0.000	-1.381	-0.523
H4	0.000	2.321	0.052
H5	0.000	-2.321	0.052
H6	0.903	1.348	-1.156
H7	-0.903	1.348	-1.156
H8	-0.903	-1.348	-1.156
H9	0.903	-1.348	-1.156

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8288	1.8288	2.4027	2.4027	2.4462	2.4462	2.4462	2.4462
C2	1.8288		2.7629	1.1016	3.7466	1.1027	1.1027	2.9437	2.9437
C3	1.8288	2.7629		3.7466	1.1016	2.9437	2.9437	1.1027	1.1027
H4	2.4027	1.1016	3.7466		4.6413	1.7945	1.7945	3.9667	3.9667
H5	2.4027	3.7466	1.1016	4.6413		3.9667	3.9667	1.7945	1.7945
H6	2.4462	1.1027	2.9437	1.7945	3.9667		1.8056	3.2450	2.6963
H7	2.4462	1.1027	2.9437	1.7945	3.9667	1.8056		2.6963	3.2450
H8	2.4462	2.9437	1.1027	3.9667	1.7945	3.2450	2.6963		1.8056
H9	2.4462	2.9437	1.1027	3.9667	1.7945	2.6963	3.2450	1.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.550	S1	C2	H6	110.665
S1	C2	H7	110.665	S1	C3	H5	107.550
S1	C3	H8	110.665	S1	C3	H9	110.665
C2	S1	C3	98.121	H4	C2	H6	108.993
H4	C2	H7	108.993	H5	C3	H8	108.993
H5	C3	H9	108.993	H6	C2	H7	109.912
H8	C3	H9	109.912

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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