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	hartrees
Energy at 0K	-477.293266
Energy at 298.15K
HF Energy	-476.785260
Nuclear repulsion energy	110.202793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3162	3046
2	A₁	3052	2939
3	A₁	1498	1443
4	A₁	1405	1353
5	A₁	1063	1024
6	A₁	703	677
7	A₁	267	257
8	A₂	3141	3025
9	A₂	1456	1403
10	A₂	955	920
11	A₂	121	116
12	B₁	3134	3018
13	B₁	1467	1413
14	B₁	1004	967
15	B₁	180	173
16	B₂	3159	3043
17	B₂	3055	2943
18	B₂	1484	1429
19	B₂	1378	1327
20	B₂	924	890
21	B₂	752	724

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.675
C2	0.000	1.376	-0.524
C3	0.000	-1.376	-0.524
H4	0.000	2.306	0.045
H5	0.000	-2.306	0.045
H6	0.893	1.346	-1.152
H7	-0.893	1.346	-1.152
H8	-0.893	-1.346	-1.152
H9	0.893	-1.346	-1.152

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8254	1.8254	2.3904	2.3904	2.4387	2.4387	2.4387	2.4387
C2	1.8254		2.7517	1.0905	3.7255	1.0918	1.0918	2.9325	2.9325
C3	1.8254	2.7517		3.7255	1.0905	2.9325	2.9325	1.0918	1.0918
H4	2.3904	1.0905	3.7255		4.6117	1.7751	1.7751	3.9454	3.9454
H5	2.3904	3.7255	1.0905	4.6117		3.9454	3.9454	1.7751	1.7751
H6	2.4387	1.0918	2.9325	1.7751	3.9454		1.7862	3.2308	2.6921
H7	2.4387	1.0918	2.9325	1.7751	3.9454	1.7862		2.6921	3.2308
H8	2.4387	2.9325	1.0918	3.9454	1.7751	3.2308	2.6921		1.7862
H9	2.4387	2.9325	1.0918	3.9454	1.7751	2.6921	3.2308	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.436	S1	C2	H6	110.917
S1	C2	H7	110.917	S1	C3	H5	107.436
S1	C3	H8	110.917	S1	C3	H9	110.917
C2	S1	C3	97.827	H4	C2	H6	108.862
H4	C2	H7	108.862	H5	C3	H8	108.862
H5	C3	H9	108.862	H6	C2	H7	109.773
H8	C3	H9	109.773

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

using model chemistry: QCISD(T)/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: QCISD(T)/TZVP

States and conformations

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