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	hartrees
Energy at 0K	-474.764734
Energy at 298.15K
HF Energy	-474.456285
Nuclear repulsion energy	110.220811

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	3175	3021	9.62	86.76	0.71	0.83
2	A₁	3083	2933	23.28	183.48	0.00	0.00
3	A₁	1593	1516	0.26	36.47	0.75	0.86
4	A₁	1476	1404	0.95	6.51	0.24	0.39
5	A₁	1121	1066	18.78	9.48	0.65	0.79
6	A₁	699	665	3.40	15.78	0.17	0.28
7	A₁	275	262	0.07	1.95	0.64	0.78
8	A₂	3165	3011	0.00	9.52	0.75	0.86
9	A₂	1568	1492	0.00	49.77	0.75	0.86
10	A₂	1031	980	0.00	8.10	0.75	0.86
11	A₂	198	189	0.00	0.07	0.75	0.86
12	B₁	3160	3006	28.06	97.22	0.75	0.86
13	B₁	1578	1501	19.85	0.00	0.75	0.86
14	B₁	1064	1013	9.06	7.13	0.75	0.86
15	B₁	194	184	1.13	0.01	0.75	0.86
16	B₂	3176	3021	3.09	42.72	0.75	0.86
17	B₂	3087	2936	19.08	0.09	0.75	0.86
18	B₂	1585	1508	19.43	0.00	0.75	0.86
19	B₂	1453	1382	1.93	7.81	0.75	0.86
20	B₂	989	941	0.41	2.20	0.75	0.86
21	B₂	751	714	0.28	9.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.671
C2	0.000	1.379	-0.520
C3	0.000	-1.379	-0.520
H4	0.000	2.310	0.054
H5	0.000	-2.310	0.054
H6	0.894	1.349	-1.150
H7	-0.894	1.349	-1.150
H8	-0.894	-1.349	-1.150
H9	0.894	-1.349	-1.150

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8225	1.8225	2.3914	2.3914	2.4363	2.4363	2.4363	2.4363
C2	1.8225		2.7588	1.0936	3.7341	1.0940	1.0940	2.9399	2.9399
C3	1.8225	2.7588		3.7341	1.0936	2.9399	2.9399	1.0940	1.0940
H4	2.3914	1.0936	3.7341		4.6207	1.7808	1.7808	3.9550	3.9550
H5	2.3914	3.7341	1.0936	4.6207		3.9550	3.9550	1.7808	1.7808
H6	2.4363	1.0940	2.9399	1.7808	3.9550		1.7882	3.2376	2.6990
H7	2.4363	1.0940	2.9399	1.7808	3.9550	1.7882		2.6990	3.2376
H8	2.4363	2.9399	1.0940	3.9550	1.7808	3.2376	2.6990		1.7882
H9	2.4363	2.9399	1.0940	3.9550	1.7808	2.6990	3.2376	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.536	S1	C2	H6	110.821
S1	C2	H7	110.821	S1	C3	H5	107.536
S1	C3	H8	110.821	S1	C3	H9	110.821
C2	S1	C3	98.377	H4	C2	H6	108.983
H4	C2	H7	108.983	H5	C3	H8	108.983
H5	C3	H9	108.983	H6	C2	H7	109.637
H8	C3	H9	109.637

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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