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	hartrees
Energy at 0K	-477.371873
Energy at 298.15K	-477.365990
HF Energy	-476.735334
Nuclear repulsion energy	110.937676

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	3313	3122	17.88	110.89	0.70	0.82
2	A₁	3220	3034	37.94	218.28	0.00	0.01
3	A₁	1636	1541	0.11	29.36	0.75	0.85
4	A₁	1532	1444	4.14	1.12	0.33	0.49
5	A₁	1167	1100	17.78	7.87	0.50	0.67
6	A₁	754	711	4.41	27.95	0.17	0.29
7	A₁	286	270	0.00	2.06	0.61	0.76
8	A₂	3300	3109	0.00	13.99	0.75	0.86
9	A₂	1613	1520	0.00	40.05	0.75	0.86
10	A₂	1060	999	0.00	6.75	0.75	0.86
11	A₂	196	184	0.00	0.08	0.75	0.86
12	B₁	3297	3106	43.77	125.86	0.75	0.86
13	B₁	1623	1529	14.78	0.01	0.75	0.86
14	B₁	1095	1032	4.27	5.48	0.75	0.86
15	B₁	203	191	1.07	0.01	0.75	0.86
16	B₂	3314	3122	9.03	58.12	0.75	0.86
17	B₂	3221	3035	39.78	0.18	0.75	0.86
18	B₂	1628	1533	16.27	0.00	0.75	0.86
19	B₂	1506	1419	10.43	2.59	0.75	0.86
20	B₂	1013	955	0.00	2.31	0.75	0.86
21	B₂	818	770	0.82	16.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.367	-0.514
C3	0.000	-1.367	-0.514
H4	0.000	2.297	0.058
H5	0.000	-2.297	0.058
H6	0.892	1.346	-1.145
H7	-0.892	1.346	-1.145
H8	-0.892	-1.346	-1.145
H9	0.892	-1.346	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8049	1.8049	2.3753	2.3753	2.4248	2.4248	2.4248	2.4248
C2	1.8049		2.7339	1.0913	3.7078	1.0924	1.0924	2.9244	2.9244
C3	1.8049	2.7339		3.7078	1.0913	2.9244	2.9244	1.0924	1.0924
H4	2.3753	1.0913	3.7078		4.5930	1.7734	1.7734	3.9380	3.9380
H5	2.3753	3.7078	1.0913	4.5930		3.9380	3.9380	1.7734	1.7734
H6	2.4248	1.0924	2.9244	1.7734	3.9380		1.7836	3.2289	2.6916
H7	2.4248	1.0924	2.9244	1.7734	3.9380	1.7836		2.6916	3.2289
H8	2.4248	2.9244	1.0924	3.9380	1.7734	3.2289	2.6916		1.7836
H9	2.4248	2.9244	1.0924	3.9380	1.7734	2.6916	3.2289	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.492	S1	C2	H6	111.147
S1	C2	H7	111.147	S1	C3	H5	107.492
S1	C3	H8	111.147	S1	C3	H9	111.147
C2	S1	C3	100.010	H4	C2	H6	108.731
H4	C2	H7	108.731	H5	C3	H8	108.731
H5	C3	H9	108.731	H6	C2	H7	109.513
H8	C3	H9	109.513

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

using model chemistry: G2

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: G2

States and conformations

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