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	hartrees
Energy at 0K	-477.785764
Energy at 298.15K	-477.791873
HF Energy	-477.785764
Nuclear repulsion energy	110.734147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3030	9.57
2	A₁	3058	2920	36.67
3	A₁	1489	1422	0.78
4	A₁	1381	1319	1.21
5	A₁	1064	1016	18.20
6	A₁	716	684	3.36
7	A₁	264	252	0.01
8	A₂	3151	3009	0.00
9	A₂	1464	1398	0.00
10	A₂	960	917	0.00
11	A₂	184	176	0.00
12	B₁	3143	3001	26.11
13	B₁	1473	1407	22.50
14	B₁	998	953	6.35
15	B₁	189	180	1.37
16	B₂	3175	3031	2.75
17	B₂	3061	2923	29.78
18	B₂	1480	1413	22.79
19	B₂	1356	1294	1.85
20	B₂	920	879	0.14
21	B₂	770	735	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.659
C2	0.000	1.379	-0.511
C3	0.000	-1.379	-0.511
H4	0.000	2.301	0.075
H5	0.000	-2.301	0.075
H6	0.894	1.366	-1.141
H7	-0.894	1.366	-1.141
H8	-0.894	-1.366	-1.141
H9	0.894	-1.366	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8082	1.8082	2.3738	2.3738	2.4304	2.4304	2.4304	2.4304
C2	1.8082		2.7577	1.0924	3.7261	1.0941	1.0941	2.9552	2.9552
C3	1.8082	2.7577		3.7261	1.0924	2.9552	2.9552	1.0941	1.0941
H4	2.3738	1.0924	3.7261		4.6018	1.7754	1.7754	3.9658	3.9658
H5	2.3738	3.7261	1.0924	4.6018		3.9658	3.9658	1.7754	1.7754
H6	2.4304	1.0941	2.9552	1.7754	3.9658		1.7882	3.2658	2.7327
H7	2.4304	1.0941	2.9552	1.7754	3.9658	1.7882		2.7327	3.2658
H8	2.4304	2.9552	1.0941	3.9658	1.7754	3.2658	2.7327		1.7882
H9	2.4304	2.9552	1.0941	3.9658	1.7754	2.7327	3.2658	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.264	S1	C2	H6	111.350
S1	C2	H7	111.350	S1	C3	H5	107.264
S1	C3	H8	111.350	S1	C3	H9	111.350
C2	S1	C3	99.381	H4	C2	H6	108.579
H4	C2	H7	108.579	H5	C3	H8	108.579
H5	C3	H9	108.579	H6	C2	H7	109.614
H8	C3	H9	109.614

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.093
2	C	-0.627
3	C	-0.627
4	H	0.198
5	H	0.198
6	H	0.191
7	H	0.191
8	H	0.191
9	H	0.191

<r²>	76.362
(<r²>)^1/2	8.739

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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