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	hartrees
Energy at 0K	-477.951497
Energy at 298.15K
HF Energy	-477.951497
Nuclear repulsion energy	110.574264

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	3171	3171	8.44	101.60	0.65	0.79
2	A₁	3059	3059	29.17	357.55	0.00	0.00
3	A₁	1455	1455	0.97	7.89	0.75	0.86
4	A₁	1334	1334	0.10	0.77	0.09	0.16
5	A₁	1036	1036	9.35	0.45	0.13	0.22
6	A₁	715	715	2.87	22.99	0.09	0.16
7	A₁	261	261	0.08	3.24	0.64	0.78
8	A₂	3153	3153	0.00	18.80	0.75	0.86
9	A₂	1433	1433	0.00	10.47	0.75	0.86
10	A₂	934	934	0.00	0.12	0.75	0.86
11	A₂	167	167	0.00	0.12	0.75	0.86
12	B₁	3146	3146	20.53	126.90	0.75	0.86
13	B₁	1444	1444	15.47	0.06	0.75	0.86
14	B₁	970	970	4.49	0.00	0.75	0.86
15	B₁	178	178	0.92	0.04	0.75	0.86
16	B₂	3173	3173	2.72	48.41	0.75	0.86
17	B₂	3063	3063	25.06	3.92	0.75	0.86
18	B₂	1445	1445	15.07	0.06	0.75	0.86
19	B₂	1306	1306	3.81	0.04	0.75	0.86
20	B₂	897	897	0.60	0.18	0.75	0.86
21	B₂	767	767	0.10	8.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.374	-0.518
C3	0.000	-1.374	-0.518
H4	0.000	2.304	0.059
H5	0.000	-2.304	0.059
H6	0.898	1.341	-1.146
H7	-0.898	1.341	-1.146
H8	-0.898	-1.341	-1.146
H9	0.898	-1.341	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8145	1.8145	2.3827	2.3827	2.4277	2.4277	2.4277	2.4277
C2	1.8145		2.7470	1.0943	3.7220	1.0959	1.0959	2.9276	2.9276
C3	1.8145	2.7470		3.7220	1.0943	2.9276	2.9276	1.0959	1.0959
H4	2.3827	1.0943	3.7220		4.6070	1.7839	1.7839	3.9423	3.9423
H5	2.3827	3.7220	1.0943	4.6070		3.9423	3.9423	1.7839	1.7839
H6	2.4277	1.0959	2.9276	1.7839	3.9423		1.7954	3.2281	2.6828
H7	2.4277	1.0959	2.9276	1.7839	3.9423	1.7954		2.6828	3.2281
H8	2.4277	2.9276	1.0959	3.9423	1.7839	3.2281	2.6828		1.7954
H9	2.4277	2.9276	1.0959	3.9423	1.7839	2.6828	3.2281	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.399	S1	C2	H6	110.620
S1	C2	H7	110.620	S1	C3	H5	107.399
S1	C3	H8	110.620	S1	C3	H9	110.620
C2	S1	C3	98.397	H4	C2	H6	109.073
H4	C2	H7	109.073	H5	C3	H8	109.073
H5	C3	H9	109.073	H6	C2	H7	109.994
H8	C3	H9	109.994

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	S	0.119
2	C	0.820
3	C	0.820
4	H	-0.338
5	H	-0.338
6	H	-0.271
7	H	-0.271
8	H	-0.271
9	H	-0.271

<r²>	76.329
(<r²>)^1/2	8.737

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

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

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