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	hartrees
Energy at 0K	-476.668518
Energy at 298.15K
HF Energy	-476.668518
Nuclear repulsion energy	108.458454

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	3341	3017	9.65	112.62	0.70	0.83
2	A₁	3230	2917	32.69	233.26	0.00	0.01
3	A₁	1642	1483	1.89	33.75	0.73	0.84
4	A₁	1526	1378	2.97	0.19	0.68	0.81
5	A₁	1165	1052	24.49	11.43	0.59	0.74
6	A₁	689	622	5.11	49.49	0.17	0.29
7	A₁	266	240	0.04	3.31	0.67	0.80
8	A₂	3330	3007	0.00	14.02	0.75	0.86
9	A₂	1625	1467	0.00	46.96	0.75	0.86
10	A₂	1065	962	0.00	10.73	0.75	0.86
11	A₂	166	150	0.00	0.09	0.75	0.86
12	B₁	3328	3004	32.81	121.93	0.75	0.86
13	B₁	1634	1475	26.25	0.07	0.75	0.86
14	B₁	1095	989	7.05	7.55	0.75	0.86
15	B₁	172	155	1.24	0.06	0.75	0.86
16	B₂	3342	3017	4.49	60.13	0.75	0.86
17	B₂	3231	2918	37.90	0.59	0.75	0.86
18	B₂	1633	1475	19.36	0.00	0.75	0.86
19	B₂	1500	1355	8.01	0.30	0.75	0.86
20	B₂	1028	928	0.01	2.20	0.75	0.86
21	B₂	750	677	3.06	29.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.674
C2	0.000	1.431	-0.528
C3	0.000	-1.431	-0.528
H4	0.000	2.334	0.063
H5	0.000	-2.334	0.063
H6	0.886	1.401	-1.143
H7	-0.886	1.401	-1.143
H8	-0.886	-1.401	-1.143
H9	0.886	-1.401	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8689	1.8689	2.4123	2.4123	2.4594	2.4594	2.4594	2.4594
C2	1.8689		2.8628	1.0784	3.8111	1.0790	1.0790	3.0309	3.0309
C3	1.8689	2.8628		3.8111	1.0784	3.0309	3.0309	1.0790	1.0790
H4	2.4123	1.0784	3.8111		4.6674	1.7631	1.7631	4.0234	4.0234
H5	2.4123	3.8111	1.0784	4.6674		4.0234	4.0234	1.7631	1.7631
H6	2.4594	1.0790	3.0309	1.7631	4.0234		1.7719	3.3155	2.8023
H7	2.4594	1.0790	3.0309	1.7631	4.0234	1.7719		2.8023	3.3155
H8	2.4594	3.0309	1.0790	4.0234	1.7631	3.3155	2.8023		1.7719
H9	2.4594	3.0309	1.0790	4.0234	1.7631	2.8023	3.3155	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.779	S1	C2	H6	110.187
S1	C2	H7	110.187	S1	C3	H5	106.779
S1	C3	H8	110.187	S1	C3	H9	110.187
C2	S1	C3	99.976	H4	C2	H6	109.616
H4	C2	H7	109.616	H5	C3	H8	109.616
H5	C3	H9	109.616	H6	C2	H7	110.384
H8	C3	H9	110.384

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

using model chemistry: HF/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	0.212
2	C	-0.681
3	C	-0.681
4	H	0.200
5	H	0.200
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	79.515
(<r²>)^1/2	8.917

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

using model chemistry: HF/6-31G

States and conformations

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