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	hartrees
Energy at 0K	-477.265891
Energy at 298.15K
HF Energy	-476.764450
Nuclear repulsion energy	109.789888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3146	13.76
2	A₁	3037	3037	33.66
3	A₁	1475	1475	0.27
4	A₁	1363	1363	1.25
5	A₁	1050	1050	8.21
6	A₁	703	703	2.42
7	A₁	262	262	0.03
8	A₂	3128	3128	0.00
9	A₂	1454	1454	0.00
10	A₂	950	950	0.00
11	A₂	169	169	0.00
12	B₁	3122	3122	29.21
13	B₁	1464	1464	10.74
14	B₁	986	986	2.99
15	B₁	176	176	0.66
16	B₂	3147	3147	6.72
17	B₂	3040	3040	29.93
18	B₂	1466	1466	11.69
19	B₂	1335	1335	8.52
20	B₂	912	912	0.10
21	B₂	756	756	0.22

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	2.320	0.052
H5	0.000	-2.320	0.052
H6	0.902	1.348	-1.155
H7	-0.902	1.348	-1.155
H8	-0.902	-1.348	-1.155
H9	0.902	-1.348	-1.155

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8286	1.8286	2.4020	2.4020	2.4456	2.4456	2.4456	2.4456
C2	1.8286		2.7629	1.1009	3.7459	1.1023	1.1023	2.9435	2.9435
C3	1.8286	2.7629		3.7459	1.1009	2.9435	2.9435	1.1023	1.1023
H4	2.4020	1.1009	3.7459		4.6399	1.7937	1.7937	3.9657	3.9657
H5	2.4020	3.7459	1.1009	4.6399		3.9657	3.9657	1.7937	1.7937
H6	2.4456	1.1023	2.9435	1.7937	3.9657		1.8046	3.2443	2.6961
H7	2.4456	1.1023	2.9435	1.7937	3.9657	1.8046		2.6961	3.2443
H8	2.4456	2.9435	1.1023	3.9657	1.7937	3.2443	2.6961		1.8046
H9	2.4456	2.9435	1.1023	3.9657	1.7937	2.6961	3.2443	1.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.552	S1	C2	H6	110.664
S1	C2	H7	110.664	S1	C3	H5	107.552
S1	C3	H8	110.664	S1	C3	H9	110.664
C2	S1	C3	98.136	H4	C2	H6	109.006
H4	C2	H7	109.006	H5	C3	H8	109.006
H5	C3	H9	109.006	H6	C2	H7	109.888
H8	C3	H9	109.888

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

using model chemistry: CCSD/daug-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: CCSD/daug-cc-pVDZ

States and conformations

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