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	hartrees
Energy at 0K	-477.752426
Energy at 298.15K
HF Energy	-477.752426
Nuclear repulsion energy	110.737050

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	3183	3033	9.36	102.35	0.67	0.81
2	A₁	3072	2928	31.16	237.92	0.00	0.00
3	A₁	1516	1444	0.18	30.07	0.75	0.86
4	A₁	1406	1340	1.52	5.14	0.22	0.37
5	A₁	1078	1028	21.75	7.66	0.56	0.72
6	A₁	722	688	3.49	14.50	0.18	0.30
7	A₁	265	253	0.06	2.20	0.61	0.76
8	A₂	3162	3014	0.00	15.42	0.75	0.86
9	A₂	1491	1421	0.00	41.37	0.75	0.86
10	A₂	976	930	0.00	7.58	0.75	0.86
11	A₂	188	179	0.00	0.11	0.75	0.86
12	B₁	3155	3007	27.71	122.24	0.75	0.86
13	B₁	1501	1431	20.55	0.00	0.75	0.86
14	B₁	1015	967	9.92	6.50	0.75	0.86
15	B₁	187	179	1.27	0.01	0.75	0.86
16	B₂	3184	3035	2.53	54.68	0.75	0.86
17	B₂	3075	2931	25.51	0.73	0.75	0.86
18	B₂	1506	1435	22.72	0.07	0.75	0.86
19	B₂	1380	1315	2.47	7.93	0.75	0.86
20	B₂	933	889	0.37	3.56	0.75	0.86
21	B₂	776	740	0.01	7.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.659
C2	0.000	1.378	-0.511
C3	0.000	-1.378	-0.511
H4	0.000	2.302	0.074
H5	0.000	-2.302	0.074
H6	0.894	1.365	-1.142
H7	-0.894	1.365	-1.142
H8	-0.894	-1.365	-1.142
H9	0.894	-1.365	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8078	1.8078	2.3748	2.3748	2.4309	2.4309	2.4309	2.4309
C2	1.8078		2.7557	1.0932	3.7255	1.0948	1.0948	2.9532	2.9532
C3	1.8078	2.7557		3.7255	1.0932	2.9532	2.9532	1.0948	1.0948
H4	2.3748	1.0932	3.7255		4.6030	1.7765	1.7765	3.9651	3.9651
H5	2.3748	3.7255	1.0932	4.6030		3.9651	3.9651	1.7765	1.7765
H6	2.4309	1.0948	2.9532	1.7765	3.9651		1.7882	3.2635	2.7300
H7	2.4309	1.0948	2.9532	1.7765	3.9651	1.7882		2.7300	3.2635
H8	2.4309	2.9532	1.0948	3.9651	1.7765	3.2635	2.7300		1.7882
H9	2.4309	2.9532	1.0948	3.9651	1.7765	2.7300	3.2635	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.323	S1	C2	H6	111.380
S1	C2	H7	111.380	S1	C3	H5	107.323
S1	C3	H8	111.380	S1	C3	H9	111.380
C2	S1	C3	99.312	H4	C2	H6	108.573
H4	C2	H7	108.573	H5	C3	H8	108.573
H5	C3	H9	108.573	H6	C2	H7	109.511
H8	C3	H9	109.511

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

using model chemistry: PBE1PBE/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	0.113
2	C	-0.671
3	C	-0.671
4	H	0.212
5	H	0.212
6	H	0.201
7	H	0.201
8	H	0.201
9	H	0.201

<r²>	76.033
(<r²>)^1/2	8.720

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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