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	hartrees
Energy at 0K	-477.759260
Energy at 298.15K
HF Energy	-477.618325
Nuclear repulsion energy	110.463135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3032	12.40
2	A₁	3075	2929	37.96
3	A₁	1514	1441	0.43
4	A₁	1409	1341	2.50
5	A₁	1076	1025	16.11
6	A₁	707	673	2.97
7	A₁	267	255	0.00
8	A₂	3165	3014	0.00
9	A₂	1485	1414	0.00
10	A₂	974	927	0.00
11	A₂	179	171	0.00
12	B₁	3157	3007	29.83
13	B₁	1493	1422	18.38
14	B₁	1011	963	4.88
15	B₁	185	176	1.09
16	B₂	3184	3033	4.74
17	B₂	3078	2932	31.70
18	B₂	1505	1434	19.78
19	B₂	1383	1317	4.90
20	B₂	935	890	0.01
21	B₂	761	725	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.383	-0.514
C3	0.000	-1.383	-0.514
H4	0.000	2.305	0.067
H5	0.000	-2.305	0.067
H6	0.892	1.366	-1.143
H7	-0.892	1.366	-1.143
H8	-0.892	-1.366	-1.143
H9	0.892	-1.366	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8162	1.8162	2.3804	2.3804	2.4340	2.4340	2.4340	2.4340
C2	1.8162		2.7657	1.0900	3.7331	1.0914	1.0914	2.9579	2.9579
C3	1.8162	2.7657		3.7331	1.0900	2.9579	2.9579	1.0914	1.0914
H4	2.3804	1.0900	3.7331		4.6093	1.7723	1.7723	3.9671	3.9671
H5	2.3804	3.7331	1.0900	4.6093		3.9671	3.9671	1.7723	1.7723
H6	2.4340	1.0914	2.9579	1.7723	3.9671		1.7838	3.2635	2.7328
H7	2.4340	1.0914	2.9579	1.7723	3.9671	1.7838		2.7328	3.2635
H8	2.4340	2.9579	1.0914	3.9671	1.7723	3.2635	2.7328		1.7838
H9	2.4340	2.9579	1.0914	3.9671	1.7723	2.7328	3.2635	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.330	S1	C2	H6	111.222
S1	C2	H7	111.222	S1	C3	H5	107.330
S1	C3	H8	111.222	S1	C3	H9	111.222
C2	S1	C3	99.177	H4	C2	H6	108.676
H4	C2	H7	108.676	H5	C3	H8	108.676
H5	C3	H9	108.676	H6	C2	H7	109.622
H8	C3	H9	109.622

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

using model chemistry: B2PLYP/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	0.050
2	C	-0.527
3	C	-0.527
4	H	0.171
5	H	0.171
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.165

<r²>	76.806
(<r²>)^1/2	8.764

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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