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	hartrees
Energy at 0K	-474.602504
Energy at 298.15K
HF Energy	-474.347891
Nuclear repulsion energy	107.085304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3029	6.67
2	A₁	3123	2940	18.61
3	A₁	1586	1492	1.20
4	A₁	1450	1365	1.65
5	A₁	1092	1028	18.53
6	A₁	636	599	3.50
7	A₁	248	234	0.05
8	A₂	3212	3023	0.00
9	A₂	1568	1476	0.00
10	A₂	995	936	0.00
11	A₂	165	156	0.00
12	B₁	3209	3020	24.04
13	B₁	1577	1485	22.19
14	B₁	1024	964	7.60
15	B₁	164	154	0.89
16	B₂	3218	3029	2.92
17	B₂	3122	2939	18.84
18	B₂	1577	1485	17.26
19	B₂	1424	1341	6.67
20	B₂	969	912	0.15
21	B₂	683	643	1.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.699
C2	0.000	1.434	-0.549
C3	0.000	-1.434	-0.549
H4	0.000	2.352	0.037
H5	0.000	-2.352	0.037
H6	0.897	1.383	-1.165
H7	-0.897	1.383	-1.165
H8	-0.897	-1.383	-1.165
H9	0.897	-1.383	-1.165

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.9012	1.9012	2.4437	2.4437	2.4883	2.4883	2.4883	2.4883
C2	1.9012		2.8683	1.0894	3.8317	1.0897	1.0897	3.0197	3.0197
C3	1.9012	2.8683		3.8317	1.0894	3.0197	3.0197	1.0897	1.0897
H4	2.4437	1.0894	3.8317		4.7048	1.7864	1.7864	4.0250	4.0250
H5	2.4437	3.8317	1.0894	4.7048		4.0250	4.0250	1.7864	1.7864
H6	2.4883	1.0897	3.0197	1.7864	4.0250		1.7948	3.2965	2.7651
H7	2.4883	1.0897	3.0197	1.7864	4.0250	1.7948		2.7651	3.2965
H8	2.4883	3.0197	1.0897	4.0250	1.7864	3.2965	2.7651		1.7948
H9	2.4883	3.0197	1.0897	4.0250	1.7864	2.7651	3.2965	1.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.409	S1	C2	H6	109.595
S1	C2	H7	109.595	S1	C3	H5	106.409
S1	C3	H8	109.595	S1	C3	H9	109.595
C2	S1	C3	97.936	H4	C2	H6	110.129
H4	C2	H7	110.129	H5	C3	H8	110.129
H5	C3	H9	110.129	H6	C2	H7	110.881
H8	C3	H9	110.881

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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