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	hartrees
Energy at 0K	-474.592381
Energy at 298.15K
HF Energy	-474.347681
Nuclear repulsion energy	106.960210

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	3215	3069	6.40	84.05	0.72	0.84
2	A₁	3112	2970	17.47	171.82	0.00	0.01
3	A₁	1583	1511	0.82	33.93	0.73	0.85
4	A₁	1443	1377	1.60	1.84	0.27	0.43
5	A₁	1082	1033	18.76	12.15	0.69	0.82
6	A₁	630	601	2.84	24.56	0.17	0.29
7	A₁	245	234	0.05	2.99	0.68	0.81
8	A₂	3210	3064	0.00	7.63	0.75	0.86
9	A₂	1564	1493	0.00	47.37	0.75	0.86
10	A₂	988	943	0.00	11.00	0.75	0.86
11	A₂	169	162	0.00	0.08	0.75	0.86
12	B₁	3206	3060	22.36	89.24	0.75	0.86
13	B₁	1574	1502	21.32	0.02	0.75	0.86
14	B₁	1018	971	8.39	9.36	0.75	0.86
15	B₁	165	158	0.84	0.05	0.75	0.86
16	B₂	3216	3069	2.21	40.53	0.75	0.86
17	B₂	3115	2973	15.32	1.12	0.75	0.86
18	B₂	1575	1504	17.38	0.03	0.75	0.86
19	B₂	1417	1353	5.96	2.30	0.75	0.86
20	B₂	962	918	0.23	2.04	0.75	0.86
21	B₂	677	646	1.22	14.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.702
C2	0.000	1.433	-0.552
C3	0.000	-1.433	-0.552
H4	0.000	2.353	0.033
H5	0.000	-2.353	0.033
H6	0.898	1.380	-1.169
H7	-0.898	1.380	-1.169
H8	-0.898	-1.380	-1.169
H9	0.898	-1.380	-1.169

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.9045	1.9045	2.4461	2.4461	2.4924	2.4924	2.4924	2.4924
C2	1.9045		2.8654	1.0906	3.8305	1.0907	1.0907	3.0161	3.0161
C3	1.9045	2.8654		3.8305	1.0906	3.0161	3.0161	1.0907	1.0907
H4	2.4461	1.0906	3.8305		4.7056	1.7884	1.7884	4.0229	4.0229
H5	2.4461	3.8305	1.0906	4.7056		4.0229	4.0229	1.7884	1.7884
H6	2.4924	1.0907	3.0161	1.7884	4.0229		1.7965	3.2928	2.7595
H7	2.4924	1.0907	3.0161	1.7884	4.0229	1.7965		2.7595	3.2928
H8	2.4924	3.0161	1.0907	4.0229	1.7884	3.2928	2.7595		1.7965
H9	2.4924	3.0161	1.0907	4.0229	1.7884	2.7595	3.2928	1.7965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.317	S1	C2	H6	109.624
S1	C2	H7	109.624	S1	C3	H5	106.317
S1	C3	H8	109.624	S1	C3	H9	109.624
C2	S1	C3	97.576	H4	C2	H6	110.144
H4	C2	H7	110.144	H5	C3	H8	110.144
H5	C3	H9	110.144	H6	C2	H7	110.882
H8	C3	H9	110.882

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)