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	hartrees
Energy at 0K	-478.030290
Energy at 298.15K
HF Energy	-478.030290
Nuclear repulsion energy	110.223137

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	3080	3037	16.20	109.33	0.63	0.78
2	A₁	2976	2934	40.45	340.76	0.00	0.00
3	A₁	1458	1438	0.08	14.68	0.75	0.86
4	A₁	1336	1317	1.03	1.02	0.20	0.34
5	A₁	1032	1018	9.98	2.75	0.39	0.56
6	A₁	664	655	2.95	14.48	0.12	0.21
7	A₁	262	259	0.09	3.20	0.62	0.76
8	A₂	3054	3012	0.00	21.30	0.75	0.86
9	A₂	1435	1415	0.00	18.57	0.75	0.86
10	A₂	936	923	0.00	3.03	0.75	0.86
11	A₂	181	179	0.00	0.11	0.75	0.86
12	B₁	3046	3004	43.22	130.03	0.75	0.86
13	B₁	1444	1424	12.04	0.12	0.75	0.86
14	B₁	972	958	5.32	1.80	0.75	0.86
15	B₁	182	179	1.08	0.19	0.75	0.86
16	B₂	3081	3038	5.46	56.73	0.75	0.86
17	B₂	2979	2937	36.08	4.54	0.75	0.86
18	B₂	1452	1431	15.87	0.29	0.75	0.86
19	B₂	1311	1293	7.97	2.65	0.75	0.86
20	B₂	899	886	0.38	1.57	0.75	0.86
21	B₂	712	702	0.05	6.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.386	-0.516
C3	0.000	-1.386	-0.516
H4	0.000	2.308	0.071
H5	0.000	-2.308	0.071
H6	0.895	1.364	-1.145
H7	-0.895	1.364	-1.145
H8	-0.895	-1.364	-1.145
H9	0.895	-1.364	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8208	1.8208	2.3831	2.3831	2.4366	2.4366	2.4366	2.4366
C2	1.8208		2.7727	1.0924	3.7406	1.0942	1.0942	2.9603	2.9603
C3	1.8208	2.7727		3.7406	1.0924	2.9603	2.9603	1.0942	1.0942
H4	2.3831	1.0924	3.7406		4.6159	1.7802	1.7802	3.9706	3.9706
H5	2.3831	3.7406	1.0924	4.6159		3.9706	3.9706	1.7802	1.7802
H6	2.4366	1.0942	2.9603	1.7802	3.9706		1.7899	3.2635	2.7288
H7	2.4366	1.0942	2.9603	1.7802	3.9706	1.7899		2.7288	3.2635
H8	2.4366	2.9603	1.0942	3.9706	1.7802	3.2635	2.7288		1.7899
H9	2.4366	2.9603	1.0942	3.9706	1.7802	2.7288	3.2635	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.109	S1	C2	H6	110.945
S1	C2	H7	110.945	S1	C3	H5	107.109
S1	C3	H8	110.945	S1	C3	H9	110.945
C2	S1	C3	99.174	H4	C2	H6	109.006
H4	C2	H7	109.006	H5	C3	H8	109.006
H5	C3	H9	109.006	H6	C2	H7	109.756
H8	C3	H9	109.756

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

using model chemistry: B97D3/cc-pVTZ

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	-0.079
2	C	-0.253
3	C	-0.253
4	H	0.102
5	H	0.102
6	H	0.095
7	H	0.095
8	H	0.095
9	H	0.095

<r²>	76.746
(<r²>)^1/2	8.760

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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