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	hartrees
Energy at 0K	-477.290799
Energy at 298.15K
HF Energy	-476.796319
Nuclear repulsion energy	111.719872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	2989	10.73
2	A₁	3134	2895	28.46
3	A₁	1555	1437	0.85
4	A₁	1439	1329	0.44
5	A₁	1100	1016	10.82
6	A₁	748	691	2.36
7	A₁	276	255	0.03
8	A₂	3219	2975	0.00
9	A₂	1531	1415	0.00
10	A₂	1000	924	0.00
11	A₂	189	175	0.00
12	B₁	3213	2969	22.58
13	B₁	1541	1424	14.45
14	B₁	1035	956	3.53
15	B₁	199	184	0.82
16	B₂	3236	2990	3.07
17	B₂	3136	2898	27.25
18	B₂	1548	1430	14.58
19	B₂	1415	1307	4.38
20	B₂	953	880	0.19
21	B₂	808	747	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.654
C2	0.000	1.367	-0.507
C3	0.000	-1.367	-0.507
H4	0.000	2.283	0.069
H5	0.000	-2.283	0.069
H6	0.885	1.347	-1.131
H7	-0.885	1.347	-1.131
H8	-0.885	-1.347	-1.131
H9	0.885	-1.347	-1.131

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7935	1.7935	2.3566	2.3566	2.4051	2.4051	2.4051	2.4051
C2	1.7935		2.7335	1.0822	3.6947	1.0833	1.0833	2.9218	2.9218
C3	1.7935	2.7335		3.6947	1.0822	2.9218	2.9218	1.0833	1.0833
H4	2.3566	1.0822	3.6947		4.5655	1.7607	1.7607	3.9240	3.9240
H5	2.3566	3.6947	1.0822	4.5655		3.9240	3.9240	1.7607	1.7607
H6	2.4051	1.0833	2.9218	1.7607	3.9240		1.7708	3.2236	2.6937
H7	2.4051	1.0833	2.9218	1.7607	3.9240	1.7708		2.6937	3.2236
H8	2.4051	2.9218	1.0833	3.9240	1.7607	3.2236	2.6937		1.7708
H9	2.4051	2.9218	1.0833	3.9240	1.7607	2.6937	3.2236	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.475	S1	C2	H6	111.031
S1	C2	H7	111.031	S1	C3	H5	107.475
S1	C3	H8	111.031	S1	C3	H9	111.031
C2	S1	C3	99.292	H4	C2	H6	108.796
H4	C2	H7	108.796	H5	C3	H8	108.796
H5	C3	H9	108.796	H6	C2	H7	109.636
H8	C3	H9	109.636

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

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

States and conformations

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