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	hartrees
Energy at 0K	-477.235831
Energy at 298.15K
HF Energy	-476.757660
Nuclear repulsion energy	109.989622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3003	12.51
2	A₁	3059	2898	30.88
3	A₁	1489	1410	0.07
4	A₁	1375	1303	1.40
5	A₁	1054	998	10.12
6	A₁	714	676	2.81
7	A₁	268	254	0.03
8	A₂	3152	2986	0.00
9	A₂	1464	1387	0.00
10	A₂	959	908	0.00
11	A₂	176	167	0.00
12	B₁	3146	2980	37.35
13	B₁	1474	1396	12.01
14	B₁	996	943	4.29
15	B₁	187	178	1.02
16	B₂	3171	3004	5.32
17	B₂	3061	2900	31.84
18	B₂	1481	1403	14.40
19	B₂	1348	1277	10.32
20	B₂	917	869	0.18
21	B₂	767	727	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.672
C2	0.000	1.378	-0.520
C3	0.000	-1.378	-0.520
H4	0.000	2.317	0.059
H5	0.000	-2.317	0.059
H6	0.902	1.353	-1.157
H7	-0.902	1.353	-1.157
H8	-0.902	-1.353	-1.157
H9	0.902	-1.353	-1.157

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8217	1.8217	2.3961	2.3961	2.4468	2.4468	2.4468	2.4468
C2	1.8217		2.7560	1.1028	3.7397	1.1044	1.1044	2.9457	2.9457
C3	1.8217	2.7560		3.7397	1.1028	2.9457	2.9457	1.1044	1.1044
H4	2.3961	1.1028	3.7397		4.6331	1.7946	1.7946	3.9696	3.9696
H5	2.3961	3.7397	1.1028	4.6331		3.9696	3.9696	1.7946	1.7946
H6	2.4468	1.1044	2.9457	1.7946	3.9696		1.8039	3.2521	2.7059
H7	2.4468	1.1044	2.9457	1.7946	3.9696	1.8039		2.7059	3.2521
H8	2.4468	2.9457	1.1044	3.9696	1.7946	3.2521	2.7059		1.8039
H9	2.4468	2.9457	1.1044	3.9696	1.7946	2.7059	3.2521	1.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.471	S1	C2	H6	111.101
S1	C2	H7	111.101	S1	C3	H5	107.471
S1	C3	H8	111.101	S1	C3	H9	111.101
C2	S1	C3	98.301	H4	C2	H6	108.792
H4	C2	H7	108.792	H5	C3	H8	108.792
H5	C3	H9	108.792	H6	C2	H7	109.508
H8	C3	H9	109.508

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

using model chemistry: CCSD/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/cc-pVDZ

States and conformations

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