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	hartrees
Energy at 0K	-474.781039
Energy at 298.15K
HF Energy	-474.456302
Nuclear repulsion energy	110.238137

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	3176	3011	9.57	86.62	0.71	0.83
2	A₁	3083	2923	23.19	183.38	0.00	0.00
3	A₁	1593	1510	0.27	36.43	0.75	0.86
4	A₁	1475	1399	0.93	6.49	0.24	0.38
5	A₁	1120	1062	18.84	9.50	0.65	0.79
6	A₁	698	662	3.37	15.77	0.17	0.28
7	A₁	275	261	0.07	1.95	0.64	0.78
8	A₂	3166	3002	0.00	9.50	0.75	0.86
9	A₂	1568	1486	0.00	49.72	0.75	0.86
10	A₂	1030	976	0.00	8.10	0.75	0.86
11	A₂	199	188	0.00	0.07	0.75	0.86
12	B₁	3161	2996	27.84	97.13	0.75	0.86
13	B₁	1577	1495	19.89	0.00	0.75	0.86
14	B₁	1063	1008	9.13	7.15	0.75	0.86
15	B₁	194	184	1.13	0.01	0.75	0.86
16	B₂	3177	3012	3.04	42.63	0.75	0.86
17	B₂	3087	2927	18.99	0.10	0.75	0.86
18	B₂	1585	1503	19.45	0.00	0.75	0.86
19	B₂	1453	1377	1.89	7.78	0.75	0.86
20	B₂	988	937	0.41	2.20	0.75	0.86
21	B₂	750	711	0.26	9.11	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		1.8223	1.8223	2.3909	2.3909	2.4359	2.4359	2.4359	2.4359
C2	1.8223		2.7581	1.0935	3.7332	1.0938	1.0938	2.9389	2.9389
C3	1.8223	2.7581		3.7332	1.0935	2.9389	2.9389	1.0938	1.0938
H4	2.3909	1.0935	3.7332		4.6197	1.7806	1.7806	3.9539	3.9539
H5	2.3909	3.7332	1.0935	4.6197		3.9539	3.9539	1.7806	1.7806
H6	2.4359	1.0938	2.9389	1.7806	3.9539		1.7881	3.2366	2.6978
H7	2.4359	1.0938	2.9389	1.7806	3.9539	1.7881		2.6978	3.2366
H8	2.4359	2.9389	1.0938	3.9539	1.7806	3.2366	2.6978		1.7881
H9	2.4359	2.9389	1.0938	3.9539	1.7806	2.6978	3.2366	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.525	S1	C2	H6	110.812
S1	C2	H7	110.812	S1	C3	H5	107.525
S1	C3	H8	110.812	S1	C3	H9	110.812
C2	S1	C3	98.357	H4	C2	H6	108.992
H4	C2	H7	108.992	H5	C3	H8	108.992
H5	C3	H9	108.992	H6	C2	H7	109.650
H8	C3	H9	109.650

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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