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	hartrees
Energy at 0K	-477.197489
Energy at 298.15K
HF Energy	-476.765216
Nuclear repulsion energy	110.422625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3225	13.14
2	A₁	3116	3116	32.63
3	A₁	1514	1514	0.52
4	A₁	1403	1403	1.05
5	A₁	1081	1081	9.25
6	A₁	730	730	2.82
7	A₁	269	269	0.03
8	A₂	3208	3208	0.00
9	A₂	1492	1492	0.00
10	A₂	977	977	0.00
11	A₂	175	175	0.00
12	B₁	3202	3202	27.91
13	B₁	1503	1503	12.18
14	B₁	1014	1014	3.11
15	B₁	183	183	0.76
16	B₂	3226	3226	5.63
17	B₂	3117	3117	29.98
18	B₂	1505	1505	12.62
19	B₂	1376	1376	7.65
20	B₂	937	937	0.13
21	B₂	786	786	0.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.379	-0.517
C3	0.000	-1.379	-0.517
H4	0.000	2.308	0.061
H5	0.000	-2.308	0.061
H6	0.896	1.352	-1.146
H7	-0.896	1.352	-1.146
H8	-0.896	-1.352	-1.146
H9	0.896	-1.352	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8167	1.8167	2.3864	2.3864	2.4316	2.4316	2.4316	2.4316
C2	1.8167		2.7577	1.0941	3.7320	1.0953	1.0953	2.9419	2.9419
C3	1.8167	2.7577		3.7320	1.0941	2.9419	2.9419	1.0953	1.0953
H4	2.3864	1.0941	3.7320		4.6165	1.7814	1.7814	3.9564	3.9564
H5	2.3864	3.7320	1.0941	4.6165		3.9564	3.9564	1.7814	1.7814
H6	2.4316	1.0953	2.9419	1.7814	3.9564		1.7926	3.2436	2.7033
H7	2.4316	1.0953	2.9419	1.7814	3.9564	1.7926		2.7033	3.2436
H8	2.4316	2.9419	1.0953	3.9564	1.7814	3.2436	2.7033		1.7926
H9	2.4316	2.9419	1.0953	3.9564	1.7814	2.7033	3.2436	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.530	S1	C2	H6	110.792
S1	C2	H7	110.792	S1	C3	H5	107.530
S1	C3	H8	110.792	S1	C3	H9	110.792
C2	S1	C3	98.752	H4	C2	H6	108.911
H4	C2	H7	108.911	H5	C3	H8	108.911
H5	C3	H9	108.911	H6	C2	H7	109.837
H8	C3	H9	109.837

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

using model chemistry: CID/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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