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	hartrees
Energy at 0K	-25.076808
Energy at 298.15K
HF Energy	-25.076808
Nuclear repulsion energy	43.538755

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	3139	3139	24.84	110.44	0.67	0.80
2	A₁	3040	3040	52.10	256.48	0.00	0.01
3	A₁	1506	1506	0.37	23.53	0.75	0.86
4	A₁	1399	1399	1.96	0.35	0.35	0.51
5	A₁	1063	1063	16.83	8.18	0.46	0.63
6	A₁	716	716	3.46	25.43	0.15	0.26
7	A₁	263	263	0.01	2.57	0.59	0.74
8	A₂	3123	3123	0.00	14.84	0.75	0.86
9	A₂	1485	1485	0.00	30.20	0.75	0.86
10	A₂	964	964	0.00	7.52	0.75	0.86
11	A₂	168	168	0.00	0.25	0.75	0.86
12	B₁	3116	3116	59.59	134.67	0.75	0.86
13	B₁	1495	1495	21.78	0.01	0.75	0.86
14	B₁	999	999	6.34	4.70	0.75	0.86
15	B₁	181	181	0.95	0.03	0.75	0.86
16	B₂	3140	3140	15.83	57.99	0.75	0.86
17	B₂	3042	3042	46.57	0.00	0.75	0.86
18	B₂	1498	1498	20.18	0.00	0.75	0.86
19	B₂	1373	1373	4.24	3.23	0.75	0.86
20	B₂	921	921	0.08	3.91	0.75	0.86
21	B₂	767	767	0.01	13.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.671
C2	0.000	1.385	-0.520
C3	0.000	-1.385	-0.520
H4	0.000	2.314	0.058
H5	0.000	-2.314	0.058
H6	0.895	1.363	-1.151
H7	-0.895	1.363	-1.151
H8	-0.895	-1.363	-1.151
H9	0.895	-1.363	-1.151

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8268	1.8268	2.3938	2.3938	2.4452	2.4452	2.4452	2.4452
C2	1.8268		2.7707	1.0939	3.7443	1.0954	1.0954	2.9587	2.9587
C3	1.8268	2.7707		3.7443	1.0939	2.9587	2.9587	1.0954	1.0954
H4	2.3938	1.0939	3.7443		4.6281	1.7798	1.7798	3.9731	3.9731
H5	2.3938	3.7443	1.0939	4.6281		3.9731	3.9731	1.7798	1.7798
H6	2.4452	1.0954	2.9587	1.7798	3.9731		1.7902	3.2616	2.7264
H7	2.4452	1.0954	2.9587	1.7798	3.9731	1.7902		2.7264	3.2616
H8	2.4452	2.9587	1.0954	3.9731	1.7798	3.2616	2.7264		1.7902
H9	2.4452	2.9587	1.0954	3.9731	1.7798	2.7264	3.2616	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.417	S1	C2	H6	111.113
S1	C2	H7	111.113	S1	C3	H5	107.417
S1	C3	H8	111.113	S1	C3	H9	111.113
C2	S1	C3	98.639	H4	C2	H6	108.763
H4	C2	H7	108.763	H5	C3	H8	108.763
H5	C3	H9	108.763	H6	C2	H7	109.590
H8	C3	H9	109.590

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

using model chemistry: wB97X-D/CEP-121G*

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	0.018
2	C	-0.605
3	C	-0.605
4	H	0.211
5	H	0.211
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.192

<r²>	63.205
(<r²>)^1/2	7.950

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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