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	hartrees
Energy at 0K	-477.604521
Energy at 298.15K
HF Energy	-476.795972
Nuclear repulsion energy	111.217895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3149	3149
2	A₁	3045	3045
3	A₁	1505	1505
4	A₁	1383	1383
5	A₁	1057	1057
6	A₁	716	716
7	A₁	266	266
8	A₂	3129	3129
9	A₂	1481	1481
10	A₂	965	965
11	A₂	183	183
12	B₁	3121	3121
13	B₁	1491	1491
14	B₁	998	998
15	B₁	197	197
16	B₂	3150	3150
17	B₂	3049	3049
18	B₂	1497	1497
19	B₂	1359	1359
20	B₂	917	917
21	B₂	772	772

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.365	-0.514
C3	0.000	-1.365	-0.514
H4	0.000	2.292	0.056
H5	0.000	-2.292	0.056
H6	0.891	1.336	-1.142
H7	-0.891	1.336	-1.142
H8	-0.891	-1.336	-1.142
H9	0.891	-1.336	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8030	1.8030	2.3709	2.3709	2.4164	2.4164	2.4164	2.4164
C2	1.8030		2.7292	1.0887	3.7006	1.0902	1.0902	2.9119	2.9119
C3	1.8030	2.7292		3.7006	1.0887	2.9119	2.9119	1.0902	1.0902
H4	2.3709	1.0887	3.7006		4.5833	1.7729	1.7729	3.9227	3.9227
H5	2.3709	3.7006	1.0887	4.5833		3.9227	3.9227	1.7729	1.7729
H6	2.4164	1.0902	2.9119	1.7729	3.9227		1.7822	3.2114	2.6715
H7	2.4164	1.0902	2.9119	1.7729	3.9227	1.7822		2.6715	3.2114
H8	2.4164	2.9119	1.0902	3.9227	1.7729	3.2114	2.6715		1.7822
H9	2.4164	2.9119	1.0902	3.9227	1.7729	2.6715	3.2114	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.569	S1	C2	H6	110.859
S1	C2	H7	110.859	S1	C3	H5	107.569
S1	C3	H8	110.859	S1	C3	H9	110.859
C2	S1	C3	98.374	H4	C2	H6	108.920
H4	C2	H7	108.920	H5	C3	H8	108.920
H5	C3	H9	108.920	H6	C2	H7	109.652
H8	C3	H9	109.652

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

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

States and conformations

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