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	hartrees
Energy at 0K	-475.471687
Energy at 298.15K
HF Energy	-475.471687
Nuclear repulsion energy	110.629078

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	3161	3036	7.31	95.64	0.69	0.82
2	A₁	3060	2938	25.73	216.75	0.00	0.00
3	A₁	1552	1490	1.23	36.62	0.75	0.86
4	A₁	1434	1378	0.00	6.82	0.22	0.36
5	A₁	1098	1055	25.61	8.27	0.61	0.76
6	A₁	708	680	3.30	14.17	0.18	0.30
7	A₁	268	258	0.10	2.19	0.63	0.77
8	A₂	3144	3020	0.00	12.96	0.75	0.86
9	A₂	1530	1469	0.00	50.49	0.75	0.86
10	A₂	996	956	0.00	7.80	0.75	0.86
11	A₂	195	187	0.00	0.09	0.75	0.86
12	B₁	3139	3015	24.72	109.46	0.75	0.86
13	B₁	1540	1479	29.64	0.02	0.75	0.86
14	B₁	1034	993	15.35	6.90	0.75	0.86
15	B₁	192	184	1.42	0.02	0.75	0.86
16	B₂	3162	3037	1.81	48.71	0.75	0.86
17	B₂	3063	2941	20.97	0.42	0.75	0.86
18	B₂	1541	1480	27.44	0.03	0.75	0.86
19	B₂	1411	1355	0.09	8.74	0.75	0.86
20	B₂	958	920	1.24	2.74	0.75	0.86
21	B₂	757	727	0.01	7.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.667
C2	0.000	1.372	-0.517
C3	0.000	-1.372	-0.517
H4	0.000	2.304	0.058
H5	0.000	-2.304	0.058
H6	0.895	1.347	-1.148
H7	-0.895	1.347	-1.148
H8	-0.895	-1.347	-1.148
H9	0.895	-1.347	-1.148

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8122	1.8122	2.3828	2.3828	2.4312	2.4312	2.4312	2.4312
C2	1.8122		2.7442	1.0946	3.7204	1.0955	1.0955	2.9318	2.9318
C3	1.8122	2.7442		3.7204	1.0946	2.9318	2.9318	1.0955	1.0955
H4	2.3828	1.0946	3.7204		4.6073	1.7803	1.7803	3.9479	3.9479
H5	2.3828	3.7204	1.0946	4.6073		3.9479	3.9479	1.7803	1.7803
H6	2.4312	1.0955	2.9318	1.7803	3.9479		1.7903	3.2354	2.6950
H7	2.4312	1.0955	2.9318	1.7803	3.9479	1.7903		2.6950	3.2354
H8	2.4312	2.9318	1.0955	3.9479	1.7803	3.2354	2.6950		1.7903
H9	2.4312	2.9318	1.0955	3.9479	1.7803	2.6950	3.2354	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.540	S1	C2	H6	111.055
S1	C2	H7	111.055	S1	C3	H5	107.540
S1	C3	H8	111.055	S1	C3	H9	111.055
C2	S1	C3	98.427	H4	C2	H6	108.758
H4	C2	H7	108.758	H5	C3	H8	108.758
H5	C3	H9	108.758	H6	C2	H7	109.596
H8	C3	H9	109.596

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	S	0.178
2	C	-0.813
3	C	-0.813
4	H	0.249
5	H	0.249
6	H	0.238
7	H	0.238
8	H	0.238
9	H	0.238

<r²>	76.076
(<r²>)^1/2	8.722

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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