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	hartrees
Energy at 0K	-477.943791
Energy at 298.15K
HF Energy	-477.943791
Nuclear repulsion energy	110.455397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3034	10.68
2	A₁	3053	2926	31.04
3	A₁	1496	1434	0.15
4	A₁	1384	1326	1.84
5	A₁	1065	1020	20.38
6	A₁	705	676	3.31
7	A₁	263	252	0.07
8	A₂	3146	3015	0.00
9	A₂	1471	1410	0.00
10	A₂	962	922	0.00
11	A₂	184	177	0.00
12	B₁	3140	3009	29.92
13	B₁	1481	1420	18.21
14	B₁	1001	959	9.13
15	B₁	184	177	1.28
16	B₂	3167	3035	2.63
17	B₂	3056	2929	26.87
18	B₂	1486	1424	21.05
19	B₂	1358	1301	3.52
20	B₂	921	883	0.38
21	B₂	759	727	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.658
C2	0.000	1.386	-0.511
C3	0.000	-1.386	-0.511
H4	0.000	2.305	0.081
H5	0.000	-2.305	0.081
H6	0.894	1.377	-1.141
H7	-0.894	1.377	-1.141
H8	-0.894	-1.377	-1.141
H9	0.894	-1.377	-1.141

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8137	1.8137	2.3761	2.3761	2.4356	2.4356	2.4356	2.4356
C2	1.8137		2.7727	1.0924	3.7382	1.0939	1.0939	2.9716	2.9716
C3	1.8137	2.7727		3.7382	1.0924	2.9716	2.9716	1.0939	1.0939
H4	2.3761	1.0924	3.7382		4.6095	1.7757	1.7757	3.9804	3.9804
H5	2.3761	3.7382	1.0924	4.6095		3.9804	3.9804	1.7757	1.7757
H6	2.4356	1.0939	2.9716	1.7757	3.9804		1.7883	3.2830	2.7532
H7	2.4356	1.0939	2.9716	1.7757	3.9804	1.7883		2.7532	3.2830
H8	2.4356	2.9716	1.0939	3.9804	1.7757	3.2830	2.7532		1.7883
H9	2.4356	2.9716	1.0939	3.9804	1.7757	2.7532	3.2830	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.070	S1	C2	H6	111.379
S1	C2	H7	111.379	S1	C3	H5	107.070
S1	C3	H8	111.379	S1	C3	H9	111.379
C2	S1	C3	99.706	H4	C2	H6	108.625
H4	C2	H7	108.625	H5	C3	H8	108.625
H5	C3	H9	108.625	H6	C2	H7	109.655
H8	C3	H9	109.655

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	S	0.099
2	C	-0.537
3	C	-0.537
4	H	0.169
5	H	0.169
6	H	0.159
7	H	0.159
8	H	0.159
9	H	0.159

<r²>	76.386
(<r²>)^1/2	8.740

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

using model chemistry: B3PW91/6-31G**

States and conformations

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