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	hartrees
Energy at 0K	-477.274036
Energy at 298.15K
HF Energy	-476.785530
Nuclear repulsion energy	110.521317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3022	14.58
2	A₁	3082	2922	33.48
3	A₁	1514	1435	0.25
4	A₁	1424	1350	2.71
5	A₁	1077	1021	12.27
6	A₁	720	683	2.43
7	A₁	270	256	0.00
8	A₂	3172	3007	0.00
9	A₂	1474	1398	0.00
10	A₂	970	920	0.00
11	A₂	133	126	0.00
12	B₁	3166	3001	38.38
13	B₁	1485	1408	12.17
14	B₁	1017	964	4.00
15	B₁	183	173	1.05
16	B₂	3189	3023	7.62
17	B₂	3084	2924	29.31
18	B₂	1502	1423	13.71
19	B₂	1397	1324	7.58
20	B₂	939	890	0.03
21	B₂	771	731	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.671
C2	0.000	1.374	-0.520
C3	0.000	-1.374	-0.520
H4	0.000	2.302	0.049
H5	0.000	-2.302	0.049
H6	0.891	1.348	-1.147
H7	-0.891	1.348	-1.147
H8	-0.891	-1.348	-1.147
H9	0.891	-1.348	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8186	1.8186	2.3840	2.3840	2.4320	2.4320	2.4320	2.4320
C2	1.8186		2.7481	1.0884	3.7194	1.0895	1.0895	2.9315	2.9315
C3	1.8186	2.7481		3.7194	1.0884	2.9315	2.9315	1.0895	1.0895
H4	2.3840	1.0884	3.7194		4.6030	1.7705	1.7705	3.9422	3.9422
H5	2.3840	3.7194	1.0884	4.6030		3.9422	3.9422	1.7705	1.7705
H6	2.4320	1.0895	2.9315	1.7705	3.9422		1.7817	3.2309	2.6952
H7	2.4320	1.0895	2.9315	1.7705	3.9422	1.7817		2.6952	3.2309
H8	2.4320	2.9315	1.0895	3.9422	1.7705	3.2309	2.6952		1.7817
H9	2.4320	2.9315	1.0895	3.9422	1.7705	2.6952	3.2309	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.517	S1	C2	H6	111.005
S1	C2	H7	111.005	S1	C3	H5	107.517
S1	C3	H8	111.005	S1	C3	H9	111.005
C2	S1	C3	98.150	H4	C2	H6	108.768
H4	C2	H7	108.768	H5	C3	H8	108.768
H5	C3	H9	108.768	H6	C2	H7	109.701
H8	C3	H9	109.701

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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