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	hartrees
Energy at 0K	-478.006144
Energy at 298.15K
HF Energy	-478.006144
Nuclear repulsion energy	109.970836

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	3079	3079	20.74	114.21	0.67	0.80
2	A₁	2975	2975	53.18	289.41	0.00	0.00
3	A₁	1478	1478	0.02	21.85	0.75	0.86
4	A₁	1366	1366	3.53	2.56	0.41	0.58
5	A₁	1049	1049	21.89	4.19	0.55	0.71
6	A₁	662	662	4.03	14.23	0.17	0.29
7	A₁	264	264	0.05	3.24	0.62	0.76
8	A₂	3055	3055	0.00	18.78	0.75	0.86
9	A₂	1454	1454	0.00	30.19	0.75	0.86
10	A₂	951	951	0.00	7.25	0.75	0.86
11	A₂	184	184	0.00	0.19	0.75	0.86
12	B₁	3047	3047	57.28	145.52	0.75	0.86
13	B₁	1465	1465	17.88	0.00	0.75	0.86
14	B₁	993	993	17.82	3.30	0.75	0.86
15	B₁	188	188	1.06	0.16	0.75	0.86
16	B₂	3080	3080	9.23	58.80	0.75	0.86
17	B₂	2977	2977	41.69	3.81	0.75	0.86
18	B₂	1469	1469	21.38	0.14	0.75	0.86
19	B₂	1338	1338	5.30	6.53	0.75	0.86
20	B₂	912	912	0.13	3.02	0.75	0.86
21	B₂	709	709	0.07	7.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.387	-0.518
C3	0.000	-1.387	-0.518
H4	0.000	2.312	0.067
H5	0.000	-2.312	0.067
H6	0.896	1.369	-1.149
H7	-0.896	1.369	-1.149
H8	-0.896	-1.369	-1.149
H9	0.896	-1.369	-1.149

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8252	1.8252	2.3889	2.3889	2.4454	2.4454	2.4454	2.4454
C2	1.8252		2.7745	1.0945	3.7454	1.0962	1.0962	2.9665	2.9665
C3	1.8252	2.7745		3.7454	1.0945	2.9665	2.9665	1.0962	1.0962
H4	2.3889	1.0945	3.7454		4.6243	1.7808	1.7808	3.9794	3.9794
H5	2.3889	3.7454	1.0945	4.6243		3.9794	3.9794	1.7808	1.7808
H6	2.4454	1.0962	2.9665	1.7808	3.9794		1.7925	3.2732	2.7387
H7	2.4454	1.0962	2.9665	1.7808	3.9794	1.7925		2.7387	3.2732
H8	2.4454	2.9665	1.0962	3.9794	1.7808	3.2732	2.7387		1.7925
H9	2.4454	2.9665	1.0962	3.9794	1.7808	2.7387	3.2732	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.144	S1	C2	H6	111.198
S1	C2	H7	111.198	S1	C3	H5	107.144
S1	C3	H8	111.198	S1	C3	H9	111.198
C2	S1	C3	98.943	H4	C2	H6	108.759
H4	C2	H7	108.759	H5	C3	H8	108.759
H5	C3	H9	108.759	H6	C2	H7	109.690
H8	C3	H9	109.690

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

using model chemistry: B97D3/6-311G*

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	0.103
2	C	-0.747
3	C	-0.747
4	H	0.238
5	H	0.238
6	H	0.229
7	H	0.229
8	H	0.229
9	H	0.229

<r²>	77.217
(<r²>)^1/2	8.787

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

using model chemistry: B97D3/6-311G*

States and conformations

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