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	hartrees
Energy at 0K	-477.783263
Energy at 298.15K
HF Energy	-477.783263
Nuclear repulsion energy	110.744481

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	3179	3034	9.58	101.48	0.67	0.80
2	A₁	3064	2924	30.66	248.57	0.00	0.00
3	A₁	1498	1430	0.13	29.29	0.75	0.86
4	A₁	1387	1324	1.51	5.16	0.21	0.34
5	A₁	1069	1020	20.26	7.31	0.55	0.71
6	A₁	718	685	3.41	14.58	0.18	0.30
7	A₁	265	253	0.06	2.21	0.61	0.76
8	A₂	3159	3014	0.00	15.50	0.75	0.86
9	A₂	1473	1405	0.00	40.53	0.75	0.86
10	A₂	966	922	0.00	7.11	0.75	0.86
11	A₂	188	179	0.00	0.11	0.75	0.86
12	B₁	3152	3008	27.89	120.21	0.75	0.86
13	B₁	1483	1415	19.07	0.00	0.75	0.86
14	B₁	1005	959	9.04	6.24	0.75	0.86
15	B₁	187	179	1.23	0.01	0.75	0.86
16	B₂	3180	3035	2.31	54.48	0.75	0.86
17	B₂	3067	2927	25.21	0.85	0.75	0.86
18	B₂	1488	1420	21.61	0.07	0.75	0.86
19	B₂	1361	1299	2.82	7.57	0.75	0.86
20	B₂	923	881	0.38	3.57	0.75	0.86
21	B₂	772	736	0.01	7.73	0.75	0.86

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	2.300	0.076
H5	0.000	-2.300	0.076
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	2.3730	2.3730	2.4299	2.4299	2.4299	2.4299
C2	1.8082		2.7583	1.0920	3.7259	1.0936	1.0936	2.9553	2.9553
C3	1.8082	2.7583		3.7259	1.0920	2.9553	2.9553	1.0936	1.0936
H4	2.3730	1.0920	3.7259		4.6006	1.7751	1.7751	3.9653	3.9653
H5	2.3730	3.7259	1.0920	4.6006		3.9653	3.9653	1.7751	1.7751
H6	2.4299	1.0936	2.9553	1.7751	3.9653		1.7874	3.2654	2.7329
H7	2.4299	1.0936	2.9553	1.7751	3.9653	1.7874		2.7329	3.2654
H8	2.4299	2.9553	1.0936	3.9653	1.7751	3.2654	2.7329		1.7874
H9	2.4299	2.9553	1.0936	3.9653	1.7751	2.7329	3.2654	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.223	S1	C2	H6	111.336
S1	C2	H7	111.336	S1	C3	H5	107.223
S1	C3	H8	111.336	S1	C3	H9	111.336
C2	S1	C3	99.409	H4	C2	H6	108.620
H4	C2	H7	108.620	H5	C3	H8	108.620
H5	C3	H9	108.620	H6	C2	H7	109.604
H8	C3	H9	109.604

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

using model chemistry: HSEh1PBE/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	0.104
2	C	-0.541
3	C	-0.541
4	H	0.169
5	H	0.169
6	H	0.160
7	H	0.160
8	H	0.160
9	H	0.160

<r²>	76.041
(<r²>)^1/2	8.720

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

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

States and conformations

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