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	hartrees
Energy at 0K	-476.781239
Energy at 298.15K
HF Energy	-476.781239
Nuclear repulsion energy	110.925971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3271	2972	19.72	110.22	0.70	0.82
2	A₁	3178	2888	43.80	262.57	0.00	0.01
3	A₁	1607	1460	0.48	19.12	0.72	0.84
4	A₁	1502	1365	4.62	0.43	0.46	0.63
5	A₁	1151	1046	19.47	3.97	0.40	0.57
6	A₁	744	676	5.11	27.15	0.16	0.28
7	A₁	285	259	0.01	2.61	0.62	0.77
8	A₂	3258	2960	0.00	15.80	0.75	0.86
9	A₂	1584	1439	0.00	25.61	0.75	0.86
10	A₂	1042	947	0.00	5.10	0.75	0.86
11	A₂	190	173	0.00	0.12	0.75	0.86
12	B₁	3254	2957	51.00	131.39	0.75	0.86
13	B₁	1594	1448	15.42	0.07	0.75	0.86
14	B₁	1081	982	10.25	1.91	0.75	0.86
15	B₁	201	182	1.08	0.14	0.75	0.86
16	B₂	3272	2972	9.72	56.72	0.75	0.86
17	B₂	3179	2888	40.35	0.06	0.75	0.86
18	B₂	1598	1452	14.83	0.01	0.75	0.86
19	B₂	1475	1340	9.75	0.89	0.75	0.86
20	B₂	997	906	0.01	1.61	0.75	0.86
21	B₂	806	732	1.02	15.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.652
C2	0.000	1.388	-0.507
C3	0.000	-1.388	-0.507
H4	0.000	2.296	0.081
H5	0.000	-2.296	0.081
H6	0.886	1.374	-1.129
H7	-0.886	1.374	-1.129
H8	-0.886	-1.374	-1.129
H9	0.886	-1.374	-1.129

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8087	1.8087	2.3664	2.3664	2.4185	2.4185	2.4185	2.4185
C2	1.8087		2.7762	1.0824	3.7313	1.0832	1.0832	2.9669	2.9669
C3	1.8087	2.7762		3.7313	1.0824	2.9669	2.9669	1.0832	1.0832
H4	2.3664	1.0824	3.7313		4.5930	1.7615	1.7615	3.9655	3.9655
H5	2.3664	3.7313	1.0824	4.5930		3.9655	3.9655	1.7615	1.7615
H6	2.4185	1.0832	2.9669	1.7615	3.9655		1.7729	3.2704	2.7482
H7	2.4185	1.0832	2.9669	1.7615	3.9655	1.7729		2.7482	3.2704
H8	2.4185	2.9669	1.0832	3.9655	1.7615	3.2704	2.7482		1.7729
H9	2.4185	2.9669	1.0832	3.9655	1.7615	2.7482	3.2704	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.186	S1	C2	H6	111.003
S1	C2	H7	111.003	S1	C3	H5	107.186
S1	C3	H8	111.003	S1	C3	H9	111.003
C2	S1	C3	100.251	H4	C2	H6	108.860
H4	C2	H7	108.860	H5	C3	H8	108.860
H5	C3	H9	108.860	H6	C2	H7	109.844
H8	C3	H9	109.844

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

using model chemistry: HF/6-311G**

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	0.033
2	C	-0.384
3	C	-0.384
4	H	0.128
5	H	0.128
6	H	0.120
7	H	0.120
8	H	0.120
9	H	0.120

<r²>	76.553
(<r²>)^1/2	8.749

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

using model chemistry: HF/6-311G**

States and conformations

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