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	hartrees
Energy at 0K	-477.903538
Energy at 298.15K
HF Energy	-477.668458
Nuclear repulsion energy	111.079450

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	3152	3152	10.51	92.40	0.64	0.78
2	A₁	3051	3051	31.78	304.49	0.00	0.00
3	A₁	1504	1504	0.63	7.94	0.74	0.85
4	A₁	1381	1381	0.50	0.88	0.11	0.20
5	A₁	1060	1060	10.28	0.40	0.21	0.34
6	A₁	704	704	2.35	19.82	0.07	0.13
7	A₁	265	265	0.05	3.07	0.63	0.77
8	A₂	3133	3133	0.00	19.84	0.75	0.86
9	A₂	1481	1481	0.00	11.06	0.75	0.86
10	A₂	964	964	0.00	0.14	0.75	0.86
11	A₂	186	186	0.00	0.10	0.75	0.86
12	B₁	3125	3125	23.39	123.90	0.75	0.86
13	B₁	1490	1490	14.32	0.06	0.75	0.86
14	B₁	998	998	4.11	0.00	0.75	0.86
15	B₁	189	189	0.83	0.04	0.75	0.86
16	B₂	3153	3153	2.57	47.63	0.75	0.86
17	B₂	3054	3054	28.60	3.93	0.75	0.86
18	B₂	1497	1497	15.87	0.18	0.75	0.86
19	B₂	1357	1357	4.58	0.06	0.75	0.86
20	B₂	920	920	0.29	0.25	0.75	0.86
21	B₂	759	759	0.02	7.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.658
C2	0.000	1.375	-0.511
C3	0.000	-1.375	-0.511
H4	0.000	2.293	0.071
H5	0.000	-2.293	0.071
H6	0.890	1.356	-1.136
H7	-0.890	1.356	-1.136
H8	-0.890	-1.356	-1.136
H9	0.890	-1.356	-1.136

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8051	1.8051	2.3665	2.3665	2.4187	2.4187	2.4187	2.4187
C2	1.8051		2.7506	1.0865	3.7138	1.0879	1.0879	2.9394	2.9394
C3	1.8051	2.7506		3.7138	1.0865	2.9394	2.9394	1.0879	1.0879
H4	2.3665	1.0865	3.7138		4.5852	1.7689	1.7689	3.9446	3.9446
H5	2.3665	3.7138	1.0865	4.5852		3.9446	3.9446	1.7689	1.7689
H6	2.4187	1.0879	2.9394	1.7689	3.9446		1.7796	3.2429	2.7110
H7	2.4187	1.0879	2.9394	1.7689	3.9446	1.7796		2.7110	3.2429
H8	2.4187	2.9394	1.0879	3.9446	1.7689	3.2429	2.7110		1.7796
H9	2.4187	2.9394	1.0879	3.9446	1.7689	2.7110	3.2429	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.223	S1	C2	H6	111.015
S1	C2	H7	111.015	S1	C3	H5	107.223
S1	C3	H8	111.015	S1	C3	H9	111.015
C2	S1	C3	99.263	H4	C2	H6	108.877
H4	C2	H7	108.877	H5	C3	H8	108.877
H5	C3	H9	108.877	H6	C2	H7	109.756
H8	C3	H9	109.756

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

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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