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	hartrees
Energy at 0K	-477.579167
Energy at 298.15K
HF Energy	-476.796128
Nuclear repulsion energy	111.422452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3170	10.51
2	A₁	3069	3069	29.39
3	A₁	1519	1519	0.61
4	A₁	1401	1401	0.40
5	A₁	1071	1071	9.99
6	A₁	728	728	2.02
7	A₁	271	271	0.02
8	A₂	3151	3151	0.00
9	A₂	1495	1495	0.00
10	A₂	976	976	0.00
11	A₂	184	184	0.00
12	B₁	3144	3144	23.01
13	B₁	1505	1505	13.60
14	B₁	1010	1010	3.60
15	B₁	196	196	0.74
16	B₂	3171	3171	3.83
17	B₂	3072	3072	26.88
18	B₂	1511	1511	14.11
19	B₂	1377	1377	4.20
20	B₂	929	929	0.18
21	B₂	785	785	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.661
C2	0.000	1.364	-0.512
C3	0.000	-1.364	-0.512
H4	0.000	2.288	0.061
H5	0.000	-2.288	0.061
H6	0.889	1.339	-1.138
H7	-0.889	1.339	-1.138
H8	-0.889	-1.339	-1.138
H9	0.889	-1.339	-1.138

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7988	1.7988	2.3657	2.3657	2.4124	2.4124	2.4124	2.4124
C2	1.7988		2.7286	1.0868	3.6971	1.0882	1.0882	2.9139	2.9139
C3	1.7988	2.7286		3.6971	1.0868	2.9139	2.9139	1.0882	1.0882
H4	2.3657	1.0868	3.6971		4.5765	1.7690	1.7690	3.9223	3.9223
H5	2.3657	3.6971	1.0868	4.5765		3.9223	3.9223	1.7690	1.7690
H6	2.4124	1.0882	2.9139	1.7690	3.9223		1.7789	3.2148	2.6778
H7	2.4124	1.0882	2.9139	1.7690	3.9223	1.7789		2.6778	3.2148
H8	2.4124	2.9139	1.0882	3.9223	1.7690	3.2148	2.6778		1.7789
H9	2.4124	2.9139	1.0882	3.9223	1.7690	2.6778	3.2148	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.557	S1	C2	H6	110.946
S1	C2	H7	110.946	S1	C3	H5	107.557
S1	C3	H8	110.946	S1	C3	H9	110.946
C2	S1	C3	98.654	H4	C2	H6	108.841
H4	C2	H7	108.841	H5	C3	H8	108.841
H5	C3	H9	108.841	H6	C2	H7	109.641
H8	C3	H9	109.641

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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=FULL/6-311+G(3df,2p)

States and conformations

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