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	hartrees
Energy at 0K	-89.078447
Energy at 298.15K
HF Energy	-89.078447
Nuclear repulsion energy	61.548322

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	3356	3020	23.95	101.69	0.71	0.83
2	A₁	3235	2911	45.89	297.17	0.01	0.01
3	A₁	1638	1474	1.75	29.65	0.71	0.83
4	A₁	1531	1378	1.32	1.91	0.16	0.28
5	A₁	1175	1057	25.36	15.24	0.53	0.70
6	A₁	692	623	4.83	63.11	0.15	0.26
7	A₁	269	242	0.17	3.10	0.69	0.81
8	A₂	3345	3010	0.00	12.59	0.75	0.86
9	A₂	1620	1458	0.00	36.93	0.75	0.86
10	A₂	1072	965	0.00	15.21	0.75	0.86
11	A₂	168	151	0.00	0.25	0.75	0.86
12	B₁	3343	3008	80.99	103.19	0.75	0.86
13	B₁	1630	1467	23.29	0.28	0.75	0.86
14	B₁	1104	994	10.09	8.45	0.75	0.86
15	B₁	172	154	1.57	0.28	0.75	0.86
16	B₂	3356	3020	13.08	59.54	0.75	0.86
17	B₂	3235	2911	64.00	0.34	0.75	0.86
18	B₂	1629	1466	16.43	0.01	0.75	0.86
19	B₂	1505	1354	4.93	0.05	0.75	0.86
20	B₂	1036	933	0.00	3.22	0.75	0.86
21	B₂	758	682	2.02	34.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.671
C2	0.000	1.430	-0.525
C3	0.000	-1.430	-0.525
H4	0.000	2.333	0.066
H5	0.000	-2.333	0.066
H6	0.885	1.403	-1.142
H7	-0.885	1.403	-1.142
H8	-0.885	-1.403	-1.142
H9	0.885	-1.403	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8638	1.8638	2.4102	2.4102	2.4573	2.4573	2.4573	2.4573
C2	1.8638		2.8599	1.0788	3.8090	1.0796	1.0796	3.0311	3.0311
C3	1.8638	2.8599		3.8090	1.0788	3.0311	3.0311	1.0796	1.0796
H4	2.4102	1.0788	3.8090		4.6660	1.7631	1.7631	4.0245	4.0245
H5	2.4102	3.8090	1.0788	4.6660		4.0245	4.0245	1.7631	1.7631
H6	2.4573	1.0796	3.0311	1.7631	4.0245		1.7697	3.3166	2.8050
H7	2.4573	1.0796	3.0311	1.7631	4.0245	1.7697		2.8050	3.3166
H8	2.4573	3.0311	1.0796	4.0245	1.7631	3.3166	2.8050		1.7697
H9	2.4573	3.0311	1.0796	4.0245	1.7631	2.8050	3.3166	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.937	S1	C2	H6	110.340
S1	C2	H7	110.340	S1	C3	H5	106.937
S1	C3	H8	110.340	S1	C3	H9	110.340
C2	S1	C3	100.211	H4	C2	H6	109.538
H4	C2	H7	109.538	H5	C3	H8	109.538
H5	C3	H9	109.538	H6	C2	H7	110.091
H8	C3	H9	110.091

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

using model chemistry: HF/LANL2DZ

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	0.127
2	C	-0.719
3	C	-0.719
4	H	0.225
5	H	0.225
6	H	0.216
7	H	0.216
8	H	0.216
9	H	0.216

<r²>	74.352
(<r²>)^1/2	8.623

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

using model chemistry: HF/LANL2DZ

States and conformations

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