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	hartrees
Energy at 0K	-477.995754
Energy at 298.15K
HF Energy	-477.995754
Nuclear repulsion energy	110.674771

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	3186	3022	10.23	102.57	0.68	0.81
2	A₁	3077	2918	31.77	237.64	0.00	0.00
3	A₁	1521	1443	0.20	29.90	0.75	0.86
4	A₁	1411	1338	1.79	4.88	0.22	0.37
5	A₁	1081	1025	21.78	7.68	0.56	0.72
6	A₁	717	680	3.46	14.98	0.18	0.30
7	A₁	265	252	0.06	2.24	0.61	0.76
8	A₂	3167	3003	0.00	15.60	0.75	0.86
9	A₂	1497	1420	0.00	41.09	0.75	0.86
10	A₂	979	928	0.00	7.65	0.75	0.86
11	A₂	187	177	0.00	0.11	0.75	0.86
12	B₁	3160	2997	29.44	122.96	0.75	0.86
13	B₁	1507	1429	19.93	0.00	0.75	0.86
14	B₁	1017	965	9.76	6.38	0.75	0.86
15	B₁	187	177	1.28	0.02	0.75	0.86
16	B₂	3187	3023	2.96	55.49	0.75	0.86
17	B₂	3080	2921	27.00	0.67	0.75	0.86
18	B₂	1512	1434	22.19	0.07	0.75	0.86
19	B₂	1385	1313	3.01	7.49	0.75	0.86
20	B₂	936	887	0.35	3.47	0.75	0.86
21	B₂	772	732	0.02	8.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.659
C2	0.000	1.381	-0.511
C3	0.000	-1.381	-0.511
H4	0.000	2.302	0.075
H5	0.000	-2.302	0.075
H6	0.893	1.369	-1.141
H7	-0.893	1.369	-1.141
H8	-0.893	-1.369	-1.141
H9	0.893	-1.369	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8096	1.8096	2.3746	2.3746	2.4316	2.4316	2.4316	2.4316
C2	1.8096		2.7614	1.0918	3.7289	1.0933	1.0933	2.9590	2.9590
C3	1.8096	2.7614		3.7289	1.0918	2.9590	2.9590	1.0933	1.0933
H4	2.3746	1.0918	3.7289		4.6036	1.7744	1.7744	3.9689	3.9689
H5	2.3746	3.7289	1.0918	4.6036		3.9689	3.9689	1.7744	1.7744
H6	2.4316	1.0933	2.9590	1.7744	3.9689		1.7862	3.2690	2.7378
H7	2.4316	1.0933	2.9590	1.7744	3.9689	1.7862		2.7378	3.2690
H8	2.4316	2.9590	1.0933	3.9689	1.7744	3.2690	2.7378		1.7862
H9	2.4316	2.9590	1.0933	3.9689	1.7744	2.7378	3.2690	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.253	S1	C2	H6	111.382
S1	C2	H7	111.382	S1	C3	H5	107.253
S1	C3	H8	111.382	S1	C3	H9	111.382
C2	S1	C3	99.457	H4	C2	H6	108.588
H4	C2	H7	108.588	H5	C3	H8	108.588
H5	C3	H9	108.588	H6	C2	H7	109.542
H8	C3	H9	109.542

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

using model chemistry: mPW1PW91/6-31G*

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	0.110
2	C	-0.667
3	C	-0.667
4	H	0.211
5	H	0.211
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.200

<r²>	76.100
(<r²>)^1/2	8.724

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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