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	hartrees
Energy at 0K	-477.279527
Energy at 298.15K
HF Energy	-476.764592
Nuclear repulsion energy	109.924585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3150	13.67
2	A₁	3041	3041	33.61
3	A₁	1478	1478	0.28
4	A₁	1365	1365	1.18
5	A₁	1049	1049	8.37
6	A₁	704	704	2.38
7	A₁	262	262	0.02
8	A₂	3133	3133	0.00
9	A₂	1455	1455	0.00
10	A₂	947	947	0.00
11	A₂	168	168	0.00
12	B₁	3126	3126	28.86
13	B₁	1466	1466	10.86
14	B₁	984	984	3.09
15	B₁	176	176	0.67
16	B₂	3151	3151	6.55
17	B₂	3044	3044	29.88
18	B₂	1468	1468	11.84
19	B₂	1337	1337	8.19
20	B₂	909	909	0.10
21	B₂	757	757	0.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.674
C2	0.000	1.379	-0.522
C3	0.000	-1.379	-0.522
H4	0.000	2.318	0.052
H5	0.000	-2.318	0.052
H6	0.902	1.347	-1.154
H7	-0.902	1.347	-1.154
H8	-0.902	-1.347	-1.154
H9	0.902	-1.347	-1.154

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8260	1.8260	2.3996	2.3996	2.4432	2.4432	2.4432	2.4432
C2	1.8260		2.7588	1.1000	3.7413	1.1013	1.1013	2.9402	2.9402
C3	1.8260	2.7588		3.7413	1.1000	2.9402	2.9402	1.1013	1.1013
H4	2.3996	1.1000	3.7413		4.6351	1.7916	1.7916	3.9618	3.9618
H5	2.3996	3.7413	1.1000	4.6351		3.9618	3.9618	1.7916	1.7916
H6	2.4432	1.1013	2.9402	1.7916	3.9618		1.8030	3.2416	2.6938
H7	2.4432	1.1013	2.9402	1.7916	3.9618	1.8030		2.6938	3.2416
H8	2.4432	2.9402	1.1013	3.9618	1.7916	3.2416	2.6938		1.8030
H9	2.4432	2.9402	1.1013	3.9618	1.7916	2.6938	3.2416	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.584	S1	C2	H6	110.706
S1	C2	H7	110.706	S1	C3	H5	107.584
S1	C3	H8	110.706	S1	C3	H9	110.706
C2	S1	C3	98.128	H4	C2	H6	108.948
H4	C2	H7	108.948	H5	C3	H8	108.948
H5	C3	H9	108.948	H6	C2	H7	109.884
H8	C3	H9	109.884

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

using model chemistry: CCSD=FULL/daug-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=FULL/daug-cc-pVDZ

States and conformations

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