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	hartrees
Energy at 0K	-477.280310
Energy at 298.15K
HF Energy	-476.763317
Nuclear repulsion energy	109.562145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3130	3013
2	A₁	3017	2904
3	A₁	1463	1408
4	A₁	1345	1295
5	A₁	1038	999
6	A₁	690	665
7	A₁	257	248
8	A₂	3110	2993
9	A₂	1441	1387
10	A₂	939	903
11	A₂	165	159
12	B₁	3103	2986
13	B₁	1452	1398
14	B₁	974	938
15	B₁	177	170
16	B₂	3131	3013
17	B₂	3021	2908
18	B₂	1455	1401
19	B₂	1320	1270
20	B₂	903	869
21	B₂	742	714

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.679
C2	0.000	1.382	-0.526
C3	0.000	-1.382	-0.526
H4	0.000	2.324	0.048
H5	0.000	-2.324	0.048
H6	0.904	1.345	-1.159
H7	-0.904	1.345	-1.159
H8	-0.904	-1.345	-1.159
H9	0.904	-1.345	-1.159

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8333	1.8333	2.4076	2.4076	2.4505	2.4505	2.4505	2.4505
C2	1.8333		2.7634	1.1033	3.7495	1.1044	1.1044	2.9419	2.9419
C3	1.8333	2.7634		3.7495	1.1033	2.9419	2.9419	1.1044	1.1044
H4	2.4076	1.1033	3.7495		4.6471	1.7979	1.7979	3.9669	3.9669
H5	2.4076	3.7495	1.1033	4.6471		3.9669	3.9669	1.7979	1.7979
H6	2.4505	1.1044	2.9419	1.7979	3.9669		1.8090	3.2422	2.6906
H7	2.4505	1.1044	2.9419	1.7979	3.9669	1.8090		2.6906	3.2422
H8	2.4505	2.9419	1.1044	3.9669	1.7979	3.2422	2.6906		1.8090
H9	2.4505	2.9419	1.1044	3.9669	1.7979	2.6906	3.2422	1.8090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.525	S1	C2	H6	110.591
S1	C2	H7	110.591	S1	C3	H5	107.525
S1	C3	H8	110.591	S1	C3	H9	110.591
C2	S1	C3	97.814	H4	C2	H6	109.052
H4	C2	H7	109.052	H5	C3	H8	109.052
H5	C3	H9	109.052	H6	C2	H7	109.968
H8	C3	H9	109.968

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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: CCSD(T)/aug-cc-pVDZ

States and conformations

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