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	hartrees
Energy at 0K	-477.841220
Energy at 298.15K
HF Energy	-477.841220
Nuclear repulsion energy	111.107670

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	3150	3027	10.32	101.65	0.65	0.79
2	A₁	3043	2925	31.89	326.00	0.00	0.00
3	A₁	1480	1422	0.53	13.75	0.75	0.86
4	A₁	1359	1307	0.23	0.53	0.33	0.49
5	A₁	1052	1011	11.44	2.52	0.34	0.51
6	A₁	714	686	2.88	14.75	0.12	0.21
7	A₁	262	252	0.09	2.88	0.63	0.77
8	A₂	3129	3007	0.00	19.81	0.75	0.86
9	A₂	1456	1400	0.00	17.32	0.75	0.86
10	A₂	952	915	0.00	2.53	0.75	0.86
11	A₂	185	178	0.00	0.11	0.75	0.86
12	B₁	3120	2999	28.47	121.82	0.75	0.86
13	B₁	1465	1408	15.90	0.08	0.75	0.86
14	B₁	988	950	5.79	1.43	0.75	0.86
15	B₁	182	175	1.21	0.18	0.75	0.86
16	B₂	3151	3028	2.05	53.77	0.75	0.86
17	B₂	3047	2928	27.92	3.10	0.75	0.86
18	B₂	1472	1415	17.57	0.21	0.75	0.86
19	B₂	1336	1284	3.53	1.89	0.75	0.86
20	B₂	911	875	0.52	1.39	0.75	0.86
21	B₂	767	737	0.00	6.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.656
C2	0.000	1.375	-0.509
C3	0.000	-1.375	-0.509
H4	0.000	2.293	0.078
H5	0.000	-2.293	0.078
H6	0.892	1.359	-1.136
H7	-0.892	1.359	-1.136
H8	-0.892	-1.359	-1.136
H9	0.892	-1.359	-1.136

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8024	1.8024	2.3649	2.3649	2.4195	2.4195	2.4195	2.4195
C2	1.8024		2.7509	1.0891	3.7151	1.0906	1.0906	2.9439	2.9439
C3	1.8024	2.7509		3.7151	1.0891	2.9439	2.9439	1.0906	1.0906
H4	2.3649	1.0891	3.7151		4.5862	1.7724	1.7724	3.9506	3.9506
H5	2.3649	3.7151	1.0891	4.5862		3.9506	3.9506	1.7724	1.7724
H6	2.4195	1.0906	2.9439	1.7724	3.9506		1.7841	3.2514	2.7182
H7	2.4195	1.0906	2.9439	1.7724	3.9506	1.7841		2.7182	3.2514
H8	2.4195	2.9439	1.0906	3.9506	1.7724	3.2514	2.7182		1.7841
H9	2.4195	2.9439	1.0906	3.9506	1.7724	2.7182	3.2514	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.154	S1	C2	H6	111.114
S1	C2	H7	111.114	S1	C3	H5	107.154
S1	C3	H8	111.114	S1	C3	H9	111.114
C2	S1	C3	99.481	H4	C2	H6	108.806
H4	C2	H7	108.806	H5	C3	H8	108.806
H5	C3	H9	108.806	H6	C2	H7	109.759
H8	C3	H9	109.759

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	S	-0.091
2	C	-0.277
3	C	-0.277
4	H	0.113
5	H	0.113
6	H	0.105
7	H	0.105
8	H	0.105
9	H	0.105

<r²>	75.790
(<r²>)^1/2	8.706

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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