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	hartrees
Energy at 0K	-478.057326
Energy at 298.15K
HF Energy	-478.057326
Nuclear repulsion energy	110.090022

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	3129	3024	16.33	109.69	0.67	0.81
2	A₁	3033	2931	44.35	272.49	0.00	0.00
3	A₁	1506	1455	0.22	21.75	0.74	0.85
4	A₁	1395	1348	3.00	1.69	0.51	0.68
5	A₁	1068	1032	23.07	4.10	0.52	0.68
6	A₁	680	657	3.78	16.59	0.17	0.29
7	A₁	263	254	0.03	3.15	0.62	0.77
8	A₂	3110	3006	0.00	18.15	0.75	0.86
9	A₂	1483	1433	0.00	29.66	0.75	0.86
10	A₂	967	935	0.00	6.74	0.75	0.86
11	A₂	185	179	0.00	0.16	0.75	0.86
12	B₁	3104	2999	44.92	139.34	0.75	0.86
13	B₁	1494	1443	19.39	0.03	0.75	0.86
14	B₁	1008	974	17.48	3.05	0.75	0.86
15	B₁	186	180	1.06	0.17	0.75	0.86
16	B₂	3130	3025	6.28	58.46	0.75	0.86
17	B₂	3035	2933	34.50	2.13	0.75	0.86
18	B₂	1497	1446	21.21	0.09	0.75	0.86
19	B₂	1369	1323	3.81	4.82	0.75	0.86
20	B₂	927	895	0.08	2.67	0.75	0.86
21	B₂	730	706	0.07	9.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.392	-0.515
C3	0.000	-1.392	-0.515
H4	0.000	2.309	0.074
H5	0.000	-2.309	0.074
H6	0.893	1.380	-1.143
H7	-0.893	1.380	-1.143
H8	-0.893	-1.380	-1.143
H9	0.893	-1.380	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8234	1.8234	2.3834	2.3834	2.4422	2.4422	2.4422	2.4422
C2	1.8234		2.7835	1.0903	3.7477	1.0917	1.0917	2.9789	2.9789
C3	1.8234	2.7835		3.7477	1.0903	2.9789	2.9789	1.0917	1.0917
H4	2.3834	1.0903	3.7477		4.6188	1.7726	1.7726	3.9862	3.9862
H5	2.3834	3.7477	1.0903	4.6188		3.9862	3.9862	1.7726	1.7726
H6	2.4422	1.0917	2.9789	1.7726	3.9862		1.7854	3.2870	2.7599
H7	2.4422	1.0917	2.9789	1.7726	3.9862	1.7854		2.7599	3.2870
H8	2.4422	2.9789	1.0917	3.9862	1.7726	3.2870	2.7599		1.7854
H9	2.4422	2.9789	1.0917	3.9862	1.7726	2.7599	3.2870	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.065	S1	C2	H6	111.322
S1	C2	H7	111.322	S1	C3	H5	107.065
S1	C3	H8	111.322	S1	C3	H9	111.322
C2	S1	C3	99.501	H4	C2	H6	108.654
H4	C2	H7	108.654	H5	C3	H8	108.654
H5	C3	H9	108.654	H6	C2	H7	109.718
H8	C3	H9	109.718

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

using model chemistry: B3LYPultrafine/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	0.118
2	C	-0.764
3	C	-0.764
4	H	0.241
5	H	0.241
6	H	0.232
7	H	0.232
8	H	0.232
9	H	0.232

<r²>	77.374
(<r²>)^1/2	8.796

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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