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	hartrees
Energy at 0K	-477.755617
Energy at 298.15K
HF Energy	-477.616034
Nuclear repulsion energy	110.492285

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	3193	3193	12.35	98.05	0.68	0.81
2	A₁	3085	3085	31.00	229.28	0.00	0.00
3	A₁	1527	1527	0.00	29.10	0.75	0.86
4	A₁	1415	1415	2.91	4.31	0.21	0.35
5	A₁	1081	1081	17.75	7.74	0.57	0.73
6	A₁	709	709	3.03	16.70	0.17	0.29
7	A₁	268	268	0.03	2.14	0.61	0.76
8	A₂	3176	3176	0.00	13.65	0.75	0.86
9	A₂	1500	1500	0.00	40.11	0.75	0.86
10	A₂	983	983	0.00	7.13	0.75	0.86
11	A₂	185	185	0.00	0.10	0.75	0.86
12	B₁	3170	3170	32.69	114.03	0.75	0.86
13	B₁	1510	1510	14.64	0.00	0.75	0.86
14	B₁	1020	1020	6.97	6.31	0.75	0.86
15	B₁	186	186	1.00	0.01	0.75	0.86
16	B₂	3194	3194	4.12	51.40	0.75	0.86
17	B₂	3088	3088	26.25	0.22	0.75	0.86
18	B₂	1518	1518	18.28	0.03	0.75	0.86
19	B₂	1389	1389	7.00	6.42	0.75	0.86
20	B₂	939	939	0.15	3.05	0.75	0.86
21	B₂	763	763	0.08	9.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.382	-0.515
C3	0.000	-1.382	-0.515
H4	0.000	2.303	0.067
H5	0.000	-2.303	0.067
H6	0.891	1.365	-1.143
H7	-0.891	1.365	-1.143
H8	-0.891	-1.365	-1.143
H9	0.891	-1.365	-1.143

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8161	1.8161	2.3793	2.3793	2.4334	2.4334	2.4334	2.4334
C2	1.8161		2.7646	1.0893	3.7313	1.0907	1.0907	2.9560	2.9560
C3	1.8161	2.7646		3.7313	1.0893	2.9560	2.9560	1.0907	1.0907
H4	2.3793	1.0893	3.7313		4.6067	1.7717	1.7717	3.9645	3.9645
H5	2.3793	3.7313	1.0893	4.6067		3.9645	3.9645	1.7717	1.7717
H6	2.4334	1.0907	2.9560	1.7717	3.9645		1.7822	3.2606	2.7304
H7	2.4334	1.0907	2.9560	1.7717	3.9645	1.7822		2.7304	3.2606
H8	2.4334	2.9560	1.0907	3.9645	1.7717	3.2606	2.7304		1.7822
H9	2.4334	2.9560	1.0907	3.9645	1.7717	2.7304	3.2606	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.293	S1	C2	H6	111.217
S1	C2	H7	111.217	S1	C3	H5	107.293
S1	C3	H8	111.217	S1	C3	H9	111.217
C2	S1	C3	99.128	H4	C2	H6	108.723
H4	C2	H7	108.723	H5	C3	H8	108.723
H5	C3	H9	108.723	H6	C2	H7	109.578
H8	C3	H9	109.578

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

using model chemistry: B2PLYP/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	0.093
2	C	-0.459
3	C	-0.459
4	H	0.143
5	H	0.143
6	H	0.135
7	H	0.135
8	H	0.135
9	H	0.135

<r²>	76.481
(<r²>)^1/2	8.745

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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