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	hartrees
Energy at 0K	-475.687315
Energy at 298.15K
HF Energy	-475.687315
Nuclear repulsion energy	110.457085

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	3173	3007	6.89	96.32	0.70	0.82
2	A₁	3074	2914	23.34	207.17	0.00	0.00
3	A₁	1560	1478	1.91	37.25	0.75	0.86
4	A₁	1447	1372	0.05	5.14	0.23	0.37
5	A₁	1103	1045	24.79	8.65	0.61	0.76
6	A₁	699	663	3.09	17.25	0.17	0.30
7	A₁	276	262	0.10	2.11	0.64	0.78
8	A₂	3158	2993	0.00	11.96	0.75	0.86
9	A₂	1540	1459	0.00	50.99	0.75	0.86
10	A₂	1004	951	0.00	7.64	0.75	0.86
11	A₂	189	179	0.00	0.07	0.75	0.86
12	B₁	3153	2988	23.42	109.55	0.75	0.86
13	B₁	1550	1469	30.84	0.01	0.75	0.86
14	B₁	1040	986	14.30	6.63	0.75	0.86
15	B₁	194	184	1.35	0.02	0.75	0.86
16	B₂	3173	3008	1.83	48.47	0.75	0.86
17	B₂	3078	2917	19.25	0.04	0.75	0.86
18	B₂	1550	1469	26.24	0.00	0.75	0.86
19	B₂	1425	1351	0.32	7.01	0.75	0.86
20	B₂	966	915	1.29	2.33	0.75	0.86
21	B₂	748	709	0.00	9.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.377	-0.517
C3	0.000	-1.377	-0.517
H4	0.000	2.307	0.057
H5	0.000	-2.307	0.057
H6	0.894	1.350	-1.147
H7	-0.894	1.350	-1.147
H8	-0.894	-1.350	-1.147
H9	0.894	-1.350	-1.147

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8168	1.8168	2.3868	2.3868	2.4320	2.4320	2.4320	2.4320
C2	1.8168		2.7542	1.0931	3.7289	1.0937	1.0937	2.9381	2.9381
C3	1.8168	2.7542		3.7289	1.0931	2.9381	2.9381	1.0937	1.0937
H4	2.3868	1.0931	3.7289		4.6146	1.7789	1.7789	3.9527	3.9527
H5	2.3868	3.7289	1.0931	4.6146		3.9527	3.9527	1.7789	1.7789
H6	2.4320	1.0937	2.9381	1.7789	3.9527		1.7879	3.2383	2.7000
H7	2.4320	1.0937	2.9381	1.7789	3.9527	1.7879		2.7000	3.2383
H8	2.4320	2.9381	1.0937	3.9527	1.7789	3.2383	2.7000		1.7879
H9	2.4320	2.9381	1.0937	3.9527	1.7789	2.7000	3.2383	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.604	S1	C2	H6	110.896
S1	C2	H7	110.896	S1	C3	H5	107.604
S1	C3	H8	110.896	S1	C3	H9	110.896
C2	S1	C3	98.572	H4	C2	H6	108.871
H4	C2	H7	108.871	H5	C3	H8	108.871
H5	C3	H9	108.871	H6	C2	H7	109.636
H8	C3	H9	109.636

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

using model chemistry: wB97X-D/3-21G*

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	0.166
2	C	-0.789
3	C	-0.789
4	H	0.243
5	H	0.243
6	H	0.231
7	H	0.231
8	H	0.231
9	H	0.231

<r²>	76.256
(<r²>)^1/2	8.732

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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