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	hartrees
Energy at 0K	-477.827772
Energy at 298.15K
HF Energy	-477.645799
Nuclear repulsion energy	110.591532

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	3162	3162	15.02	107.35	0.68	0.81
2	A₁	3060	3060	42.09	263.17	0.00	0.00
3	A₁	1523	1523	0.17	21.57	0.74	0.85
4	A₁	1419	1419	2.54	1.56	0.57	0.73
5	A₁	1082	1082	22.75	4.05	0.52	0.68
6	A₁	703	703	3.66	16.87	0.16	0.28
7	A₁	269	269	0.02	2.86	0.63	0.77
8	A₂	3144	3144	0.00	16.20	0.75	0.86
9	A₂	1498	1498	0.00	29.40	0.75	0.86
10	A₂	983	983	0.00	6.31	0.75	0.86
11	A₂	185	185	0.00	0.16	0.75	0.86
12	B₁	3137	3137	41.11	134.62	0.75	0.86
13	B₁	1509	1509	19.61	0.03	0.75	0.86
14	B₁	1025	1025	16.69	2.92	0.75	0.86
15	B₁	190	190	1.04	0.16	0.75	0.86
16	B₂	3163	3163	5.96	54.54	0.75	0.86
17	B₂	3063	3063	32.57	1.22	0.75	0.86
18	B₂	1513	1513	20.69	0.04	0.75	0.86
19	B₂	1392	1392	3.20	4.68	0.75	0.86
20	B₂	941	941	0.06	2.35	0.75	0.86
21	B₂	755	755	0.04	9.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.379	-0.515
C3	0.000	-1.379	-0.515
H4	0.000	2.301	0.064
H5	0.000	-2.301	0.064
H6	0.891	1.363	-1.143
H7	-0.891	1.363	-1.143
H8	-0.891	-1.363	-1.143
H9	0.891	-1.363	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8144	1.8144	2.3778	2.3778	2.4325	2.4325	2.4325	2.4325
C2	1.8144		2.7577	1.0890	3.7251	1.0903	1.0903	2.9503	2.9503
C3	1.8144	2.7577		3.7251	1.0890	2.9503	2.9503	1.0903	1.0903
H4	2.3778	1.0890	3.7251		4.6018	1.7699	1.7699	3.9589	3.9589
H5	2.3778	3.7251	1.0890	4.6018		3.9589	3.9589	1.7699	1.7699
H6	2.4325	1.0903	2.9503	1.7699	3.9589		1.7823	3.2562	2.7252
H7	2.4325	1.0903	2.9503	1.7699	3.9589	1.7823		2.7252	3.2562
H8	2.4325	2.9503	1.0903	3.9589	1.7699	3.2562	2.7252		1.7823
H9	2.4325	2.9503	1.0903	3.9589	1.7699	2.7252	3.2562	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.314	S1	C2	H6	111.287
S1	C2	H7	111.287	S1	C3	H5	107.314
S1	C3	H8	111.287	S1	C3	H9	111.287
C2	S1	C3	98.920	H4	C2	H6	108.609
H4	C2	H7	108.609	H5	C3	H8	108.609
H5	C3	H9	108.609	H6	C2	H7	109.634
H8	C3	H9	109.634

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

using model chemistry: B2PLYP=FULL/6-311G*

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

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

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