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	hartrees
Energy at 0K	-477.388429
Energy at 298.15K
HF Energy	-476.812126
Nuclear repulsion energy	111.549968

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	3188	3024	7.55	89.68	0.67	0.80
2	A₁	3070	2912	26.85	327.83	0.00	0.00
3	A₁	1502	1425	0.44	9.71	0.75	0.85
4	A₁	1372	1301	0.29	0.23	0.60	0.75
5	A₁	1061	1006	9.77	1.39	0.22	0.36
6	A₁	730	692	2.48	16.98	0.09	0.17
7	A₁	266	252	0.03	2.75	0.64	0.78
8	A₂	3173	3009	0.00	16.20	0.75	0.86
9	A₂	1478	1402	0.00	11.95	0.75	0.86
10	A₂	966	916	0.00	0.87	0.75	0.86
11	A₂	189	179	0.00	0.08	0.75	0.86
12	B₁	3163	3000	17.93	110.02	0.75	0.86
13	B₁	1488	1411	14.74	0.07	0.75	0.86
14	B₁	1001	949	4.39	0.32	0.75	0.86
15	B₁	196	186	0.82	0.17	0.75	0.86
16	B₂	3190	3025	1.34	42.91	0.75	0.86
17	B₂	3076	2917	22.47	1.76	0.75	0.86
18	B₂	1494	1417	14.91	0.08	0.75	0.86
19	B₂	1348	1279	4.08	0.47	0.75	0.86
20	B₂	924	876	0.31	0.52	0.75	0.86
21	B₂	784	743	0.01	7.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.358	-0.515
C3	0.000	-1.358	-0.515
H4	0.000	2.284	0.054
H5	0.000	-2.284	0.054
H6	0.889	1.327	-1.139
H7	-0.889	1.327	-1.139
H8	-0.889	-1.327	-1.139
H9	0.889	-1.327	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7983	1.7983	2.3640	2.3640	2.4086	2.4086	2.4086	2.4086
C2	1.7983		2.7168	1.0860	3.6863	1.0871	1.0871	2.8969	2.8969
C3	1.7983	2.7168		3.6863	1.0860	2.8969	2.8969	1.0871	1.0871
H4	2.3640	1.0860	3.6863		4.5677	1.7688	1.7688	3.9053	3.9053
H5	2.3640	3.6863	1.0860	4.5677		3.9053	3.9053	1.7688	1.7688
H6	2.4086	1.0871	2.8969	1.7688	3.9053		1.7790	3.1950	2.6540
H7	2.4086	1.0871	2.8969	1.7688	3.9053	1.7790		2.6540	3.1950
H8	2.4086	2.8969	1.0871	3.9053	1.7688	3.1950	2.6540		1.7790
H9	2.4086	2.8969	1.0871	3.9053	1.7688	2.6540	3.1950	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.509	S1	C2	H6	110.758
S1	C2	H7	110.758	S1	C3	H5	107.509
S1	C3	H8	110.758	S1	C3	H9	110.758
C2	S1	C3	98.116	H4	C2	H6	108.969
H4	C2	H7	108.969	H5	C3	H8	108.969
H5	C3	H9	108.969	H6	C2	H7	109.814
H8	C3	H9	109.814

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

using model chemistry: MP2/cc-pVQZ

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: MP2/cc-pVQZ

States and conformations

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