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	hartrees
Energy at 0K	-476.539822
Energy at 298.15K
HF Energy	-476.539822
Nuclear repulsion energy	110.927219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	3053	5.10
2	A₁	2957	2924	31.88
3	A₁	1373	1358	0.89
4	A₁	1261	1247	0.07
5	A₁	990	979	10.03
6	A₁	713	705	3.02
7	A₁	249	246	0.07
8	A₂	3056	3022	0.00
9	A₂	1349	1333	0.00
10	A₂	889	879	0.00
11	A₂	175	173	0.00
12	B₁	3044	3009	15.71
13	B₁	1359	1343	19.58
14	B₁	927	917	6.45
15	B₁	170	168	1.00
16	B₂	3090	3055	0.27
17	B₂	2964	2930	21.71
18	B₂	1362	1347	19.79
19	B₂	1235	1221	0.42
20	B₂	852	843	0.69
21	B₂	760	752	0.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.361	-0.513
C3	0.000	-1.361	-0.513
H4	0.000	2.303	0.064
H5	0.000	-2.303	0.064
H6	0.905	1.335	-1.151
H7	-0.905	1.335	-1.151
H8	-0.905	-1.335	-1.151
H9	0.905	-1.335	-1.151

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7999	1.7999	2.3801	2.3801	2.4289	2.4289	2.4289	2.4289
C2	1.7999		2.7210	1.1053	3.7088	1.1077	1.1077	2.9140	2.9140
C3	1.7999	2.7210		3.7088	1.1053	2.9140	2.9140	1.1077	1.1077
H4	2.3801	1.1053	3.7088		4.6060	1.7982	1.7982	3.9409	3.9409
H5	2.3801	3.7088	1.1053	4.6060		3.9409	3.9409	1.7982	1.7982
H6	2.4289	1.1077	2.9140	1.7982	3.9409		1.8108	3.2259	2.6697
H7	2.4289	1.1077	2.9140	1.7982	3.9409	1.8108		2.6697	3.2259
H8	2.4289	2.9140	1.1077	3.9409	1.7982	3.2259	2.6697		1.8108
H9	2.4289	2.9140	1.1077	3.9409	1.7982	2.6697	3.2259	1.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.607	S1	C2	H6	111.061
S1	C2	H7	111.061	S1	C3	H5	107.607
S1	C3	H8	111.061	S1	C3	H9	111.061
C2	S1	C3	98.207	H4	C2	H6	108.694
H4	C2	H7	108.694	H5	C3	H8	108.694
H5	C3	H9	108.694	H6	C2	H7	109.645
H8	C3	H9	109.645

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

using model chemistry: LSDA/aug-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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Number	Element	Mulliken
1	S	0.319
2	C	0.407
3	C	0.407
4	H	-0.229
5	H	-0.229
6	H	-0.169
7	H	-0.169
8	H	-0.169
9	H	-0.169

<r²>	75.910
(<r²>)^1/2	8.713

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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