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	hartrees
Energy at 0K	-478.013823
Energy at 298.15K
HF Energy	-478.013823
Nuclear repulsion energy	109.908338

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	3152	3027	13.18	102.70	0.67	0.80
2	A₁	3052	2931	33.68	233.60	0.00	0.00
3	A₁	1519	1458	0.02	30.74	0.75	0.86
4	A₁	1403	1348	3.25	5.11	0.22	0.36
5	A₁	1072	1029	19.64	8.28	0.58	0.74
6	A₁	687	660	3.29	16.16	0.17	0.30
7	A₁	262	251	0.06	2.31	0.61	0.75
8	A₂	3132	3008	0.00	15.70	0.75	0.86
9	A₂	1495	1435	0.00	42.10	0.75	0.86
10	A₂	971	932	0.00	8.23	0.75	0.86
11	A₂	185	178	0.00	0.10	0.75	0.86
12	B₁	3126	3002	36.31	121.56	0.75	0.86
13	B₁	1504	1444	15.81	0.00	0.75	0.86
14	B₁	1008	968	8.50	6.94	0.75	0.86
15	B₁	182	175	1.10	0.01	0.75	0.86
16	B₂	3153	3028	4.80	55.84	0.75	0.86
17	B₂	3054	2933	28.46	0.68	0.75	0.86
18	B₂	1510	1450	19.99	0.08	0.75	0.86
19	B₂	1377	1323	7.14	7.27	0.75	0.86
20	B₂	929	892	0.23	3.56	0.75	0.86
21	B₂	739	710	0.13	8.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.394	-0.515
C3	0.000	-1.394	-0.515
H4	0.000	2.314	0.074
H5	0.000	-2.314	0.074
H6	0.894	1.381	-1.146
H7	-0.894	1.381	-1.146
H8	-0.894	-1.381	-1.146
H9	0.894	-1.381	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8257	1.8257	2.3883	2.3883	2.4461	2.4461	2.4461	2.4461
C2	1.8257		2.7878	1.0933	3.7550	1.0947	1.0947	2.9829	2.9829
C3	1.8257	2.7878		3.7550	1.0933	2.9829	2.9829	1.0947	1.0947
H4	2.3883	1.0933	3.7550		4.6289	1.7782	1.7782	3.9932	3.9932
H5	2.3883	3.7550	1.0933	4.6289		3.9932	3.9932	1.7782	1.7782
H6	2.4461	1.0947	2.9829	1.7782	3.9932		1.7890	3.2905	2.7617
H7	2.4461	1.0947	2.9829	1.7782	3.9932	1.7890		2.7617	3.2905
H8	2.4461	2.9829	1.0947	3.9932	1.7782	3.2905	2.7617		1.7890
H9	2.4461	2.9829	1.0947	3.9932	1.7782	2.7617	3.2905	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.125	S1	C2	H6	111.293
S1	C2	H7	111.293	S1	C3	H5	107.125
S1	C3	H8	111.293	S1	C3	H9	111.293
C2	S1	C3	99.544	H4	C2	H6	108.725
H4	C2	H7	108.725	H5	C3	H8	108.725
H5	C3	H9	108.725	H6	C2	H7	109.585
H8	C3	H9	109.585

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

using model chemistry: B3LYP/6-31G*

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	0.090
2	C	-0.578
3	C	-0.578
4	H	0.183
5	H	0.183
6	H	0.175
7	H	0.175
8	H	0.175
9	H	0.175

	x	z	Total
	0.000	-1.722	1.722
CHELPG	0.000	-1.684	1.684
AIM	0.000	-0.611	0.611
ESP	0.028	-1.729	1.730

<r²>	77.092
(<r²>)^1/2	8.780

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

using model chemistry: B3LYP/6-31G*

States and conformations

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