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	hartrees
Energy at 0K	-477.304757
Energy at 298.15K
HF Energy	-476.802465
Nuclear repulsion energy	111.433636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3007	11.56
2	A₁	3133	2913	28.91
3	A₁	1549	1440	0.52
4	A₁	1428	1328	0.62
5	A₁	1096	1019	10.38
6	A₁	741	689	2.63
7	A₁	273	253	0.03
8	A₂	3219	2993	0.00
9	A₂	1525	1418	0.00
10	A₂	994	925	0.00
11	A₂	181	169	0.00
12	B₁	3213	2987	29.01
13	B₁	1534	1426	13.74
14	B₁	1030	958	3.94
15	B₁	193	179	1.02
16	B₂	3235	3008	3.91
17	B₂	3135	2915	27.88
18	B₂	1541	1433	14.26
19	B₂	1404	1305	6.11
20	B₂	950	884	0.20
21	B₂	799	743	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.658
C2	0.000	1.370	-0.510
C3	0.000	-1.370	-0.510
H4	0.000	2.286	0.064
H5	0.000	-2.286	0.064
H6	0.885	1.347	-1.133
H7	-0.885	1.347	-1.133
H8	-0.885	-1.347	-1.133
H9	0.885	-1.347	-1.133

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8006	1.8006	2.3625	2.3625	2.4102	2.4102	2.4102	2.4102
C2	1.8006		2.7395	1.0818	3.7011	1.0828	1.0828	2.9246	2.9246
C3	1.8006	2.7395		3.7011	1.0818	2.9246	2.9246	1.0828	1.0828
H4	2.3625	1.0818	3.7011		4.5730	1.7606	1.7606	3.9269	3.9269
H5	2.3625	3.7011	1.0818	4.5730		3.9269	3.9269	1.7606	1.7606
H6	2.4102	1.0828	2.9246	1.7606	3.9269		1.7707	3.2241	2.6943
H7	2.4102	1.0828	2.9246	1.7606	3.9269	1.7707		2.6943	3.2241
H8	2.4102	2.9246	1.0828	3.9269	1.7606	3.2241	2.6943		1.7707
H9	2.4102	2.9246	1.0828	3.9269	1.7606	2.6943	3.2241	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.461	S1	C2	H6	110.950
S1	C2	H7	110.950	S1	C3	H5	107.461
S1	C3	H8	110.950	S1	C3	H9	110.950
C2	S1	C3	99.054	H4	C2	H6	108.852
H4	C2	H7	108.852	H5	C3	H8	108.852
H5	C3	H9	108.852	H6	C2	H7	109.704
H8	C3	H9	109.704

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

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

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