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	hartrees
Energy at 0K	-476.746082
Energy at 298.15K
HF Energy	-476.746082
Nuclear repulsion energy	110.959495

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	3291	2976	17.53	115.08	0.68	0.81
2	A₁	3194	2888	42.11	238.30	0.00	0.00
3	A₁	1612	1458	0.71	18.55	0.71	0.83
4	A₁	1511	1366	3.42	0.91	0.20	0.34
5	A₁	1157	1046	15.88	3.89	0.40	0.58
6	A₁	752	680	4.53	32.13	0.13	0.23
7	A₁	287	260	0.00	2.36	0.63	0.78
8	A₂	3276	2962	0.00	16.38	0.75	0.86
9	A₂	1589	1437	0.00	27.20	0.75	0.86
10	A₂	1049	949	0.00	2.67	0.75	0.86
11	A₂	194	175	0.00	0.15	0.75	0.86
12	B₁	3271	2958	39.46	142.06	0.75	0.86
13	B₁	1599	1445	17.18	0.00	0.75	0.86
14	B₁	1083	979	2.78	1.19	0.75	0.86
15	B₁	202	183	1.15	0.00	0.75	0.86
16	B₂	3292	2976	9.11	58.11	0.75	0.86
17	B₂	3195	2889	41.50	0.01	0.75	0.86
18	B₂	1604	1450	16.23	0.03	0.75	0.86
19	B₂	1485	1343	7.95	0.95	0.75	0.86
20	B₂	1004	908	0.03	1.65	0.75	0.86
21	B₂	815	737	0.76	18.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.654
C2	0.000	1.386	-0.507
C3	0.000	-1.386	-0.507
H4	0.000	2.298	0.076
H5	0.000	-2.298	0.076
H6	0.885	1.372	-1.131
H7	-0.885	1.372	-1.131
H8	-0.885	-1.372	-1.131
H9	0.885	-1.372	-1.131

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8078	1.8078	2.3691	2.3691	2.4190	2.4190	2.4190	2.4190
C2	1.8078		2.7720	1.0824	3.7296	1.0834	1.0834	2.9629	2.9629
C3	1.8078	2.7720		3.7296	1.0824	2.9629	2.9629	1.0834	1.0834
H4	2.3691	1.0824	3.7296		4.5954	1.7606	1.7606	3.9633	3.9633
H5	2.3691	3.7296	1.0824	4.5954		3.9633	3.9633	1.7606	1.7606
H6	2.4190	1.0834	2.9629	1.7606	3.9633		1.7708	3.2654	2.7436
H7	2.4190	1.0834	2.9629	1.7606	3.9633	1.7708		2.7436	3.2654
H8	2.4190	2.9629	1.0834	3.9633	1.7606	3.2654	2.7436		1.7708
H9	2.4190	2.9629	1.0834	3.9633	1.7606	2.7436	3.2654	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.437	S1	C2	H6	111.092
S1	C2	H7	111.092	S1	C3	H5	107.437
S1	C3	H8	111.092	S1	C3	H9	111.092
C2	S1	C3	100.109	H4	C2	H6	108.759
H4	C2	H7	108.759	H5	C3	H8	108.759
H5	C3	H9	108.759	H6	C2	H7	109.621
H8	C3	H9	109.621

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

using model chemistry: HF/6-31+G**

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	-0.006
2	C	-0.462
3	C	-0.462
4	H	0.161
5	H	0.161
6	H	0.152
7	H	0.152
8	H	0.152
9	H	0.152

<r²>	76.496
(<r²>)^1/2	8.746

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

using model chemistry: HF/6-31+G**

States and conformations

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