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	hartrees
Energy at 0K	-477.379939
Energy at 298.15K
HF Energy	-476.799140
Nuclear repulsion energy	111.140713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3162	11.50
2	A₁	3061	3061	28.97
3	A₁	1509	1509	0.46
4	A₁	1390	1390	0.61
5	A₁	1065	1065	9.41
6	A₁	719	719	2.24
7	A₁	267	267	0.02
8	A₂	3144	3144	0.00
9	A₂	1484	1484	0.00
10	A₂	966	966	0.00
11	A₂	178	178	0.00
12	B₁	3138	3138	28.76
13	B₁	1493	1493	13.44
14	B₁	1002	1002	3.81
15	B₁	189	189	0.93
16	B₂	3162	3162	4.51
17	B₂	3064	3064	26.18
18	B₂	1502	1502	13.79
19	B₂	1367	1367	5.47
20	B₂	922	922	0.09
21	B₂	774	774	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.368	-0.514
C3	0.000	-1.368	-0.514
H4	0.000	2.292	0.059
H5	0.000	-2.292	0.059
H6	0.890	1.341	-1.141
H7	-0.890	1.341	-1.141
H8	-0.890	-1.341	-1.141
H9	0.890	-1.341	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8049	1.8049	2.3703	2.3703	2.4178	2.4178	2.4178	2.4178
C2	1.8049		2.7355	1.0877	3.7044	1.0889	1.0889	2.9194	2.9194
C3	1.8049	2.7355		3.7044	1.0877	2.9194	2.9194	1.0889	1.0889
H4	2.3703	1.0877	3.7044		4.5840	1.7710	1.7710	3.9284	3.9284
H5	2.3703	3.7044	1.0877	4.5840		3.9284	3.9284	1.7710	1.7710
H6	2.4178	1.0889	2.9194	1.7710	3.9284		1.7805	3.2194	2.6823
H7	2.4178	1.0889	2.9194	1.7710	3.9284	1.7805		2.6823	3.2194
H8	2.4178	2.9194	1.0889	3.9284	1.7710	3.2194	2.6823		1.7805
H9	2.4178	2.9194	1.0889	3.9284	1.7710	2.6823	3.2194	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.451	S1	C2	H6	110.906
S1	C2	H7	110.906	S1	C3	H5	107.451
S1	C3	H8	110.906	S1	C3	H9	110.906
C2	S1	C3	98.541	H4	C2	H6	108.911
H4	C2	H7	108.911	H5	C3	H8	108.911
H5	C3	H9	108.911	H6	C2	H7	109.689
H8	C3	H9	109.689

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

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

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