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	hartrees
Energy at 0K	-472.443184
Energy at 298.15K
HF Energy	-472.443184
Nuclear repulsion energy	110.710323

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	3528	3112	1.04	43.92	0.69	0.82
2	A₁	3332	2939	3.55	84.48	0.00	0.01
3	A₁	1706	1504	0.85	27.54	0.74	0.85
4	A₁	1574	1389	0.00	3.49	0.64	0.78
5	A₁	1160	1023	15.81	6.38	0.62	0.77
6	A₁	849	749	0.86	12.92	0.17	0.29
7	A₁	311	274	0.05	1.12	0.55	0.71
8	A₂	3496	3084	0.00	5.55	0.75	0.86
9	A₂	1685	1487	0.00	35.07	0.75	0.86
10	A₂	1067	941	0.00	4.65	0.75	0.86
11	A₂	184	162	0.00	0.09	0.75	0.86
12	B₁	3493	3082	8.76	46.35	0.75	0.86
13	B₁	1686	1487	10.84	0.40	0.75	0.86
14	B₁	1098	968	2.20	4.15	0.75	0.86
15	B₁	178	157	0.70	0.00	0.75	0.86
16	B₂	3527	3111	0.35	23.36	0.75	0.86
17	B₂	3333	2940	3.44	0.05	0.75	0.86
18	B₂	1702	1501	11.55	0.03	0.75	0.86
19	B₂	1546	1364	7.28	5.35	0.75	0.86
20	B₂	1031	910	0.36	1.34	0.75	0.86
21	B₂	898	792	0.03	7.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.677
C2	0.000	1.356	-0.520
C3	0.000	-1.356	-0.520
H4	0.000	2.304	0.032
H5	0.000	-2.304	0.032
H6	0.890	1.338	-1.166
H7	-0.890	1.338	-1.166
H8	-0.890	-1.338	-1.166
H9	0.890	-1.338	-1.166

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8088	1.8088	2.3926	2.3926	2.4453	2.4453	2.4453	2.4453
C2	1.8088		2.7114	1.0968	3.7008	1.0996	1.0996	2.9093	2.9093
C3	1.8088	2.7114		3.7008	1.0968	2.9093	2.9093	1.0996	1.0996
H4	2.3926	1.0968	3.7008		4.6075	1.7772	1.7772	3.9354	3.9354
H5	2.3926	3.7008	1.0968	4.6075		3.9354	3.9354	1.7772	1.7772
H6	2.4453	1.0996	2.9093	1.7772	3.9354		1.7793	3.2134	2.6758
H7	2.4453	1.0996	2.9093	1.7772	3.9354	1.7793		2.6758	3.2134
H8	2.4453	2.9093	1.0996	3.9354	1.7772	3.2134	2.6758		1.7793
H9	2.4453	2.9093	1.0996	3.9354	1.7772	2.6758	3.2134	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.358	S1	C2	H6	112.135
S1	C2	H7	112.135	S1	C3	H5	108.358
S1	C3	H8	112.135	S1	C3	H9	112.135
C2	S1	C3	97.097	H4	C2	H6	108.024
H4	C2	H7	108.024	H5	C3	H8	108.024
H5	C3	H9	108.024	H6	C2	H7	108.010
H8	C3	H9	108.010

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

using model chemistry: PBE1PBE/STO-3G

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	0.147
2	C	-0.320
3	C	-0.320
4	H	0.087
5	H	0.087
6	H	0.080
7	H	0.080
8	H	0.080
9	H	0.080

<r²>	74.351
(<r²>)^1/2	8.623

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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