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	hartrees
Energy at 0K	-477.930520
Energy at 298.15K
HF Energy	-477.930520
Nuclear repulsion energy	108.798099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3069	3044	15.70	103.25	0.66	0.80
2	A₁	2972	2948	35.94	244.96	0.00	0.00
3	A₁	1481	1469	0.02	31.84	0.75	0.86
4	A₁	1359	1348	4.57	7.14	0.20	0.34
5	A₁	1038	1030	18.73	8.90	0.61	0.76
6	A₁	646	641	3.18	14.54	0.18	0.30
7	A₁	251	249	0.10	2.58	0.60	0.75
8	A₂	3048	3023	0.00	17.23	0.75	0.86
9	A₂	1457	1445	0.00	43.62	0.75	0.86
10	A₂	939	932	0.00	9.33	0.75	0.86
11	A₂	180	179	0.00	0.10	0.75	0.86
12	B₁	3042	3017	42.55	123.71	0.75	0.86
13	B₁	1466	1454	13.28	0.00	0.75	0.86
14	B₁	976	968	9.08	7.81	0.75	0.86
15	B₁	174	173	1.08	0.01	0.75	0.86
16	B₂	3070	3045	5.78	57.75	0.75	0.86
17	B₂	2974	2950	30.15	1.56	0.75	0.86
18	B₂	1472	1461	19.50	0.18	0.75	0.86
19	B₂	1333	1322	10.72	8.87	0.75	0.86
20	B₂	901	893	0.28	4.16	0.75	0.86
21	B₂	694	688	0.16	7.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.411	-0.522
C3	0.000	-1.411	-0.522
H4	0.000	2.334	0.078
H5	0.000	-2.334	0.078
H6	0.901	1.398	-1.156
H7	-0.901	1.398	-1.156
H8	-0.901	-1.398	-1.156
H9	0.901	-1.398	-1.156

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8468	1.8468	2.4077	2.4077	2.4699	2.4699	2.4699	2.4699
C2	1.8468		2.8211	1.1004	3.7918	1.1020	1.1020	3.0166	3.0166
C3	1.8468	2.8211		3.7918	1.1004	3.0166	3.0166	1.1020	1.1020
H4	2.4077	1.1004	3.7918		4.6671	1.7914	1.7914	4.0317	4.0317
H5	2.4077	3.7918	1.1004	4.6671		4.0317	4.0317	1.7914	1.7914
H6	2.4699	1.1020	3.0166	1.7914	4.0317		1.8023	3.3259	2.7952
H7	2.4699	1.1020	3.0166	1.7914	4.0317	1.8023		2.7952	3.3259
H8	2.4699	3.0166	1.1020	4.0317	1.7914	3.3259	2.7952		1.8023
H9	2.4699	3.0166	1.1020	4.0317	1.7914	2.7952	3.3259	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.809	S1	C2	H6	111.251
S1	C2	H7	111.251	S1	C3	H5	106.809
S1	C3	H8	111.251	S1	C3	H9	111.251
C2	S1	C3	99.600	H4	C2	H6	108.857
H4	C2	H7	108.857	H5	C3	H8	108.857
H5	C3	H9	108.857	H6	C2	H7	109.719
H8	C3	H9	109.719

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

using model chemistry: BLYP/6-31G*

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	0.075
2	C	-0.531
3	C	-0.531
4	H	0.170
5	H	0.170
6	H	0.162
7	H	0.162
8	H	0.162
9	H	0.162

<r²>	78.388
(<r²>)^1/2	8.854

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

using model chemistry: BLYP/6-31G*

States and conformations

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