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	hartrees
Energy at 0K	-477.352423
Energy at 298.15K
HF Energy	-476.803382
Nuclear repulsion energy	111.250398

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	3181	3031	7.64	87.28	0.68	0.81
2	A₁	3065	2920	28.21	345.97	0.00	0.00
3	A₁	1507	1436	0.57	7.21	0.75	0.86
4	A₁	1375	1310	0.37	1.10	0.09	0.16
5	A₁	1062	1012	9.06	0.27	0.13	0.23
6	A₁	725	691	2.37	20.10	0.07	0.13
7	A₁	265	252	0.03	2.97	0.65	0.79
8	A₂	3165	3016	0.00	16.53	0.75	0.86
9	A₂	1483	1413	0.00	9.85	0.75	0.86
10	A₂	970	924	0.00	0.07	0.75	0.86
11	A₂	188	179	0.00	0.09	0.75	0.86
12	B₁	3156	3007	16.46	115.77	0.75	0.86
13	B₁	1493	1423	13.88	0.02	0.75	0.86
14	B₁	1004	957	3.95	0.02	0.75	0.86
15	B₁	195	186	0.70	0.07	0.75	0.86
16	B₂	3182	3032	1.55	42.17	0.75	0.86
17	B₂	3071	2926	23.38	3.08	0.75	0.86
18	B₂	1499	1428	14.49	0.06	0.75	0.86
19	B₂	1352	1288	4.49	0.05	0.75	0.86
20	B₂	927	884	0.25	0.10	0.75	0.86
21	B₂	777	741	0.04	7.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.667
C2	0.000	1.361	-0.517
C3	0.000	-1.361	-0.517
H4	0.000	2.289	0.051
H5	0.000	-2.289	0.051
H6	0.892	1.326	-1.142
H7	-0.892	1.326	-1.142
H8	-0.892	-1.326	-1.142
H9	0.892	-1.326	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8046	1.8046	2.3699	2.3699	2.4135	2.4135	2.4135	2.4135
C2	1.8046		2.7229	1.0877	3.6940	1.0888	1.0888	2.8997	2.8997
C3	1.8046	2.7229		3.6940	1.0877	2.8997	2.8997	1.0888	1.0888
H4	2.3699	1.0877	3.6940		4.5770	1.7731	1.7731	3.9096	3.9096
H5	2.3699	3.6940	1.0877	4.5770		3.9096	3.9096	1.7731	1.7731
H6	2.4135	1.0888	2.8997	1.7731	3.9096		1.7830	3.1962	2.6527
H7	2.4135	1.0888	2.8997	1.7731	3.9096	1.7830		2.6527	3.1962
H8	2.4135	2.8997	1.0888	3.9096	1.7731	3.1962	2.6527		1.7830
H9	2.4135	2.8997	1.0888	3.9096	1.7731	2.6527	3.1962	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.438	S1	C2	H6	110.605
S1	C2	H7	110.605	S1	C3	H5	107.438
S1	C3	H8	110.605	S1	C3	H9	110.605
C2	S1	C3	97.949	H4	C2	H6	109.105
H4	C2	H7	109.105	H5	C3	H8	109.105
H5	C3	H9	109.105	H6	C2	H7	109.925
H8	C3	H9	109.925

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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