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	hartrees
Energy at 0K	-477.299735
Energy at 298.15K
HF Energy	-476.799395
Nuclear repulsion energy	111.684894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3240	11.29
2	A₁	3139	3139	28.41
3	A₁	1550	1550	0.72
4	A₁	1433	1433	0.59
5	A₁	1097	1097	10.45
6	A₁	744	744	2.54
7	A₁	274	274	0.02
8	A₂	3225	3225	0.00
9	A₂	1525	1525	0.00
10	A₂	995	995	0.00
11	A₂	185	185	0.00
12	B₁	3218	3218	27.60
13	B₁	1534	1534	14.61
14	B₁	1031	1031	3.97
15	B₁	195	195	1.05
16	B₂	3240	3240	3.65
17	B₂	3141	3141	26.61
18	B₂	1542	1542	14.50
19	B₂	1409	1409	4.99
20	B₂	949	949	0.11
21	B₂	802	802	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.655
C2	0.000	1.367	-0.508
C3	0.000	-1.367	-0.508
H4	0.000	2.282	0.068
H5	0.000	-2.282	0.068
H6	0.885	1.346	-1.131
H7	-0.885	1.346	-1.131
H8	-0.885	-1.346	-1.131
H9	0.885	-1.346	-1.131

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7950	1.7950	2.3568	2.3568	2.4058	2.4058	2.4058	2.4058
C2	1.7950		2.7335	1.0816	3.6942	1.0825	1.0825	2.9208	2.9208
C3	1.7950	2.7335		3.6942	1.0816	2.9208	2.9208	1.0825	1.0825
H4	2.3568	1.0816	3.6942		4.5646	1.7598	1.7598	3.9225	3.9225
H5	2.3568	3.6942	1.0816	4.5646		3.9225	3.9225	1.7598	1.7598
H6	2.4058	1.0825	2.9208	1.7598	3.9225		1.7696	3.2218	2.6923
H7	2.4058	1.0825	2.9208	1.7598	3.9225	1.7696		2.6923	3.2218
H8	2.4058	2.9208	1.0825	3.9225	1.7598	3.2218	2.6923		1.7696
H9	2.4058	2.9208	1.0825	3.9225	1.7598	2.6923	3.2218	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.424	S1	C2	H6	111.023
S1	C2	H7	111.023	S1	C3	H5	107.424
S1	C3	H8	111.023	S1	C3	H9	111.023
C2	S1	C3	99.183	H4	C2	H6	108.823
H4	C2	H7	108.823	H5	C3	H8	108.823
H5	C3	H9	108.823	H6	C2	H7	109.650
H8	C3	H9	109.650

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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