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	hartrees
Energy at 0K	-89.911159
Energy at 298.15K
HF Energy	-89.911159
Nuclear repulsion energy	60.894010

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	3186	3062	21.13	91.05	0.70	0.82
2	A₁	3062	2943	34.11	279.23	0.00	0.01
3	A₁	1510	1451	2.52	27.39	0.73	0.85
4	A₁	1399	1345	0.02	0.15	0.52	0.68
5	A₁	1074	1033	27.88	14.34	0.59	0.74
6	A₁	641	616	2.41	37.54	0.15	0.26
7	A₁	248	238	0.31	3.10	0.64	0.78
8	A₂	3173	3050	0.00	11.17	0.75	0.86
9	A₂	1489	1431	0.00	33.38	0.75	0.86
10	A₂	971	933	0.00	15.02	0.75	0.86
11	A₂	150	144	0.00	0.32	0.75	0.86
12	B₁	3170	3047	67.30	92.02	0.75	0.86
13	B₁	1499	1441	28.18	0.16	0.75	0.86
14	B₁	1009	970	18.03	9.07	0.75	0.86
15	B₁	159	153	1.16	0.30	0.75	0.86
16	B₂	3185	3062	8.56	52.20	0.75	0.86
17	B₂	3064	2945	40.34	0.00	0.75	0.86
18	B₂	1501	1443	20.24	0.00	0.75	0.86
19	B₂	1373	1320	0.22	0.84	0.75	0.86
20	B₂	943	907	0.71	3.67	0.75	0.86
21	B₂	691	664	0.41	19.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.688
C2	0.000	1.434	-0.539
C3	0.000	-1.434	-0.539
H4	0.000	2.353	0.054
H5	0.000	-2.353	0.054
H6	0.898	1.401	-1.163
H7	-0.898	1.401	-1.163
H8	-0.898	-1.401	-1.163
H9	0.898	-1.401	-1.163

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8873	1.8873	2.4371	2.4371	2.4891	2.4891	2.4891	2.4891
C2	1.8873		2.8688	1.0933	3.8336	1.0940	1.0940	3.0392	3.0392
C3	1.8873	2.8688		3.8336	1.0933	3.0392	3.0392	1.0940	1.0940
H4	2.4371	1.0933	3.8336		4.7064	1.7869	1.7869	4.0476	4.0476
H5	2.4371	3.8336	1.0933	4.7064		4.0476	4.0476	1.7869	1.7869
H6	2.4891	1.0940	3.0392	1.7869	4.0476		1.7955	3.3284	2.8025
H7	2.4891	1.0940	3.0392	1.7869	4.0476	1.7955		2.8025	3.3284
H8	2.4891	3.0392	1.0940	4.0476	1.7869	3.3284	2.8025		1.7955
H9	2.4891	3.0392	1.0940	4.0476	1.7869	2.8025	3.3284	1.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.651	S1	C2	H6	110.359
S1	C2	H7	110.359	S1	C3	H5	106.651
S1	C3	H8	110.359	S1	C3	H9	110.359
C2	S1	C3	98.932	H4	C2	H6	109.556
H4	C2	H7	109.556	H5	C3	H8	109.556
H5	C3	H9	109.556	H6	C2	H7	110.288
H8	C3	H9	110.288

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

using model chemistry: B3LYP/LANL2DZ

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	0.134
2	C	-0.788
3	C	-0.788
4	H	0.242
5	H	0.242
6	H	0.239
7	H	0.239
8	H	0.239
9	H	0.239

<r²>	74.933
(<r²>)^1/2	8.656

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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