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	hartrees
Energy at 0K	-477.377073
Energy at 298.15K
HF Energy	-476.799171
Nuclear repulsion energy	111.193204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3170	10.77
2	A₁	3067	3067	27.86
3	A₁	1511	1511	0.54
4	A₁	1393	1393	0.52
5	A₁	1067	1067	9.53
6	A₁	723	723	2.21
7	A₁	267	267	0.02
8	A₂	3153	3153	0.00
9	A₂	1487	1487	0.00
10	A₂	969	969	0.00
11	A₂	178	178	0.00
12	B₁	3147	3147	27.02
13	B₁	1496	1496	13.77
14	B₁	1004	1004	3.90
15	B₁	190	190	0.95
16	B₂	3171	3171	3.94
17	B₂	3070	3070	25.06
18	B₂	1504	1504	13.86
19	B₂	1370	1370	4.91
20	B₂	924	924	0.11
21	B₂	778	778	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.367	-0.514
C3	0.000	-1.367	-0.514
H4	0.000	2.291	0.060
H5	0.000	-2.291	0.060
H6	0.890	1.341	-1.140
H7	-0.890	1.341	-1.140
H8	-0.890	-1.341	-1.140
H9	0.890	-1.341	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8039	1.8039	2.3692	2.3692	2.4168	2.4168	2.4168	2.4168
C2	1.8039		2.7346	1.0873	3.7031	1.0885	1.0885	2.9190	2.9190
C3	1.8039	2.7346		3.7031	1.0873	2.9190	2.9190	1.0885	1.0885
H4	2.3692	1.0873	3.7031		4.5822	1.7702	1.7702	3.9276	3.9276
H5	2.3692	3.7031	1.0873	4.5822		3.9276	3.9276	1.7702	1.7702
H6	2.4168	1.0885	2.9190	1.7702	3.9276		1.7798	3.2193	2.6826
H7	2.4168	1.0885	2.9190	1.7702	3.9276	1.7798		2.6826	3.2193
H8	2.4168	2.9190	1.0885	3.9276	1.7702	3.2193	2.6826		1.7798
H9	2.4168	2.9190	1.0885	3.9276	1.7702	2.6826	3.2193	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.454	S1	C2	H6	110.924
S1	C2	H7	110.924	S1	C3	H5	107.454
S1	C3	H8	110.924	S1	C3	H9	110.924
C2	S1	C3	98.575	H4	C2	H6	108.890
H4	C2	H7	108.890	H5	C3	H8	108.890
H5	C3	H9	108.890	H6	C2	H7	109.688
H8	C3	H9	109.688

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

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

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