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	hartrees
Energy at 0K	-476.785903
Energy at 298.15K
HF Energy	-476.785903
Nuclear repulsion energy	110.683071

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	3275	2976	18.95	110.06	0.69	0.82
2	A₁	3182	2891	40.13	285.46	0.00	0.01
3	A₁	1610	1462	1.21	19.67	0.75	0.86
4	A₁	1500	1363	3.75	0.07	0.68	0.81
5	A₁	1147	1042	13.20	8.61	0.37	0.54
6	A₁	740	673	4.92	29.27	0.18	0.30
7	A₁	281	255	0.00	2.23	0.60	0.75
8	A₂	3262	2964	0.00	15.18	0.75	0.86
9	A₂	1586	1441	0.00	28.14	0.75	0.86
10	A₂	1037	942	0.00	6.10	0.75	0.86
11	A₂	184	167	0.00	0.18	0.75	0.86
12	B₁	3258	2960	48.93	123.85	0.75	0.86
13	B₁	1595	1450	15.00	0.35	0.75	0.86
14	B₁	1072	974	3.70	3.96	0.75	0.86
15	B₁	196	178	1.44	0.20	0.75	0.86
16	B₂	3276	2976	10.13	57.83	0.75	0.86
17	B₂	3183	2892	41.16	0.00	0.75	0.86
18	B₂	1602	1455	14.77	0.00	0.75	0.86
19	B₂	1474	1339	11.40	0.76	0.75	0.86
20	B₂	995	904	0.02	2.87	0.75	0.86
21	B₂	801	728	1.06	17.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.656
C2	0.000	1.391	-0.510
C3	0.000	-1.391	-0.510
H4	0.000	2.300	0.075
H5	0.000	-2.300	0.075
H6	0.885	1.373	-1.132
H7	-0.885	1.373	-1.132
H8	-0.885	-1.373	-1.132
H9	0.885	-1.373	-1.132

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8154	1.8154	2.3723	2.3723	2.4226	2.4226	2.4226	2.4226
C2	1.8154		2.7815	1.0811	3.7367	1.0819	1.0819	2.9683	2.9683
C3	1.8154	2.7815		3.7367	1.0811	2.9683	2.9683	1.0819	1.0819
H4	2.3723	1.0811	3.7367		4.5997	1.7602	1.7602	3.9665	3.9665
H5	2.3723	3.7367	1.0811	4.5997		3.9665	3.9665	1.7602	1.7602
H6	2.4226	1.0819	2.9683	1.7602	3.9665		1.7703	3.2680	2.7469
H7	2.4226	1.0819	2.9683	1.7602	3.9665	1.7703		2.7469	3.2680
H8	2.4226	2.9683	1.0819	3.9665	1.7602	3.2680	2.7469		1.7703
H9	2.4226	2.9683	1.0819	3.9665	1.7602	2.7469	3.2680	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.241	S1	C2	H6	110.926
S1	C2	H7	110.926	S1	C3	H5	107.241
S1	C3	H8	110.926	S1	C3	H9	110.926
C2	S1	C3	100.007	H4	C2	H6	108.933
H4	C2	H7	108.933	H5	C3	H8	108.933
H5	C3	H9	108.933	H6	C2	H7	109.806
H8	C3	H9	109.806

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

using model chemistry: HF/TZVP

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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Number	Element	Mulliken
1	S	-0.083
2	C	-0.255
3	C	-0.255
4	H	0.107
5	H	0.107
6	H	0.095
7	H	0.095
8	H	0.095
9	H	0.095

<r²>	76.649
(<r²>)^1/2	8.755

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

using model chemistry: HF/TZVP

States and conformations

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