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	hartrees
Energy at 0K	-478.035298
Energy at 298.15K
HF Energy	-478.035298
Nuclear repulsion energy	110.439502

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	3141	3031	12.57	100.91	0.67	0.80
2	A₁	3034	2928	30.79	239.71	0.00	0.00
3	A₁	1499	1446	0.01	22.74	0.75	0.86
4	A₁	1368	1320	3.14	3.10	0.24	0.39
5	A₁	1052	1016	13.30	5.12	0.55	0.71
6	A₁	693	668	3.44	15.49	0.12	0.22
7	A₁	252	243	0.15	2.30	0.60	0.75
8	A₂	3121	3012	0.00	15.68	0.75	0.86
9	A₂	1475	1423	0.00	30.19	0.75	0.86
10	A₂	948	915	0.00	3.98	0.75	0.86
11	A₂	184	178	0.00	0.10	0.75	0.86
12	B₁	3114	3005	32.03	117.47	0.75	0.86
13	B₁	1486	1434	10.44	0.05	0.75	0.86
14	B₁	986	952	5.03	3.79	0.75	0.86
15	B₁	179	172	1.05	0.01	0.75	0.86
16	B₂	3142	3032	4.02	52.97	0.75	0.86
17	B₂	3037	2931	28.89	1.23	0.75	0.86
18	B₂	1491	1439	15.05	0.14	0.75	0.86
19	B₂	1341	1294	12.86	4.25	0.75	0.86
20	B₂	906	874	0.45	2.19	0.75	0.86
21	B₂	744	718	0.19	6.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.660
C2	0.000	1.386	-0.513
C3	0.000	-1.386	-0.513
H4	0.000	2.303	0.080
H5	0.000	-2.303	0.080
H6	0.895	1.367	-1.141
H7	-0.895	1.367	-1.141
H8	-0.895	-1.367	-1.141
H9	0.895	-1.367	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8159	1.8159	2.3746	2.3746	2.4321	2.4321	2.4321	2.4321
C2	1.8159		2.7714	1.0920	3.7357	1.0934	1.0934	2.9622	2.9622
C3	1.8159	2.7714		3.7357	1.0920	2.9622	2.9622	1.0934	1.0934
H4	2.3746	1.0920	3.7357		4.6052	1.7794	1.7794	3.9700	3.9700
H5	2.3746	3.7357	1.0920	4.6052		3.9700	3.9700	1.7794	1.7794
H6	2.4321	1.0934	2.9622	1.7794	3.9700		1.7905	3.2688	2.7348
H7	2.4321	1.0934	2.9622	1.7794	3.9700	1.7905		2.7348	3.2688
H8	2.4321	2.9622	1.0934	3.9700	1.7794	3.2688	2.7348		1.7905
H9	2.4321	2.9622	1.0934	3.9700	1.7794	2.7348	3.2688	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.842	S1	C2	H6	110.987
S1	C2	H7	110.987	S1	C3	H5	106.842
S1	C3	H8	110.987	S1	C3	H9	110.987
C2	S1	C3	99.478	H4	C2	H6	109.011
H4	C2	H7	109.011	H5	C3	H8	109.011
H5	C3	H9	109.011	H6	C2	H7	109.918
H8	C3	H9	109.918

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

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.098
2	C	-0.436
3	C	-0.436
4	H	0.169
5	H	0.169
6	H	0.158
7	H	0.158
8	H	0.158
9	H	0.158

<r²>	76.254
(<r²>)^1/2	8.732

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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