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	hartrees
Energy at 0K	-477.824743
Energy at 298.15K
HF Energy	-477.658447
Nuclear repulsion energy	110.337844

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	3166	3021	12.82	104.06	0.68	0.81
2	A₁	3062	2922	35.06	305.71	0.00	0.00
3	A₁	1504	1435	0.60	20.43	0.75	0.86
4	A₁	1397	1333	2.24	0.99	0.13	0.23
5	A₁	1066	1018	13.98	8.85	0.42	0.59
6	A₁	698	666	3.10	18.86	0.18	0.31
7	A₁	264	252	0.01	2.46	0.60	0.75
8	A₂	3148	3004	0.00	15.36	0.75	0.86
9	A₂	1474	1406	0.00	29.74	0.75	0.86
10	A₂	962	917	0.00	7.62	0.75	0.86
11	A₂	165	157	0.00	0.30	0.75	0.86
12	B₁	3141	2997	36.23	122.96	0.75	0.86
13	B₁	1483	1416	15.61	0.57	0.75	0.86
14	B₁	1004	958	5.81	4.95	0.75	0.86
15	B₁	183	175	1.18	0.23	0.75	0.86
16	B₂	3167	3022	5.05	54.43	0.75	0.86
17	B₂	3065	2925	30.08	0.56	0.75	0.86
18	B₂	1495	1426	17.47	0.07	0.75	0.86
19	B₂	1371	1308	5.91	3.39	0.75	0.86
20	B₂	928	885	0.00	3.90	0.75	0.86
21	B₂	749	714	0.05	10.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.667
C2	0.000	1.384	-0.518
C3	0.000	-1.384	-0.518
H4	0.000	2.303	0.062
H5	0.000	-2.303	0.062
H6	0.891	1.363	-1.144
H7	-0.891	1.363	-1.144
H8	-0.891	-1.363	-1.144
H9	0.891	-1.363	-1.144

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8216	1.8216	2.3814	2.3814	2.4348	2.4348	2.4348	2.4348
C2	1.8216		2.7676	1.0874	3.7326	1.0886	1.0886	2.9546	2.9546
C3	1.8216	2.7676		3.7326	1.0874	2.9546	2.9546	1.0886	1.0886
H4	2.3814	1.0874	3.7326		4.6069	1.7697	1.7697	3.9611	3.9611
H5	2.3814	3.7326	1.0874	4.6069		3.9611	3.9611	1.7697	1.7697
H6	2.4348	1.0886	2.9546	1.7697	3.9611		1.7813	3.2564	2.7260
H7	2.4348	1.0886	2.9546	1.7697	3.9611	1.7813		2.7260	3.2564
H8	2.4348	2.9546	1.0886	3.9611	1.7697	3.2564	2.7260		1.7813
H9	2.4348	2.9546	1.0886	3.9611	1.7697	2.7260	3.2564	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.185	S1	C2	H6	111.054
S1	C2	H7	111.054	S1	C3	H5	107.185
S1	C3	H8	111.054	S1	C3	H9	111.054
C2	S1	C3	98.867	H4	C2	H6	108.833
H4	C2	H7	108.833	H5	C3	H8	108.833
H5	C3	H9	108.833	H6	C2	H7	109.797
H8	C3	H9	109.797

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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