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	hartrees
Energy at 0K	-472.344262
Energy at 298.15K
HF Energy	-472.298215
Nuclear repulsion energy	110.153344

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	3515	3515	2.14	45.37	0.70	0.82
2	A₁	3323	3323	3.84	81.20	0.00	0.01
3	A₁	1720	1720	0.33	28.28	0.74	0.85
4	A₁	1587	1587	0.27	3.17	0.67	0.80
5	A₁	1159	1159	13.52	6.70	0.62	0.77
6	A₁	839	839	0.40	14.83	0.17	0.29
7	A₁	312	312	0.13	1.16	0.55	0.71
8	A₂	3488	3488	0.00	5.34	0.75	0.86
9	A₂	1702	1702	0.00	36.13	0.75	0.86
10	A₂	1069	1069	0.00	4.77	0.75	0.86
11	A₂	179	179	0.00	0.08	0.75	0.86
12	B₁	3486	3486	12.21	46.39	0.75	0.86
13	B₁	1703	1703	7.26	0.44	0.75	0.86
14	B₁	1098	1098	1.07	4.27	0.75	0.86
15	B₁	177	177	0.54	0.00	0.75	0.86
16	B₂	3514	3514	0.01	23.24	0.75	0.86
17	B₂	3325	3325	4.27	0.25	0.75	0.86
18	B₂	1718	1718	8.48	0.06	0.75	0.86
19	B₂	1561	1561	12.58	4.93	0.75	0.86
20	B₂	1033	1033	0.13	1.15	0.75	0.86
21	B₂	888	888	0.13	8.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.681
C2	0.000	1.364	-0.523
C3	0.000	-1.364	-0.523
H4	0.000	2.315	0.028
H5	0.000	-2.315	0.028
H6	0.891	1.345	-1.171
H7	-0.891	1.345	-1.171
H8	-0.891	-1.345	-1.171
H9	0.891	-1.345	-1.171

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8196	1.8196	2.4055	2.4055	2.4564	2.4564	2.4564	2.4564
C2	1.8196		2.7277	1.0994	3.7200	1.1019	1.1019	2.9243	2.9243
C3	1.8196	2.7277		3.7200	1.0994	2.9243	2.9243	1.1019	1.1019
H4	2.4055	1.0994	3.7200		4.6302	1.7812	1.7812	3.9532	3.9532
H5	2.4055	3.7200	1.0994	4.6302		3.9532	3.9532	1.7812	1.7812
H6	2.4564	1.1019	2.9243	1.7812	3.9532		1.7826	3.2271	2.6901
H7	2.4564	1.1019	2.9243	1.7812	3.9532	1.7826		2.6901	3.2271
H8	2.4564	2.9243	1.1019	3.9532	1.7812	3.2271	2.6901		1.7826
H9	2.4564	2.9243	1.1019	3.9532	1.7812	2.6901	3.2271	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.458	S1	C2	H6	112.101
S1	C2	H7	112.101	S1	C3	H5	108.458
S1	C3	H8	112.101	S1	C3	H9	112.101
C2	S1	C3	97.098	H4	C2	H6	108.024
H4	C2	H7	108.024	H5	C3	H8	108.024
H5	C3	H9	108.024	H6	C2	H7	107.979
H8	C3	H9	107.979

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

using model chemistry: B2PLYP=FULL/STO-3G

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/STO-3G

States and conformations

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