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	hartrees
Energy at 0K	-478.006187
Energy at 298.15K
HF Energy	-478.006187
Nuclear repulsion energy	110.715716

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	3180	3026	9.76	110.92	0.65	0.79
2	A₁	3066	2918	36.01	270.46	0.00	0.00
3	A₁	1495	1423	0.87	17.20	0.72	0.84
4	A₁	1389	1322	1.31	1.41	0.74	0.85
5	A₁	1068	1016	18.46	3.16	0.45	0.62
6	A₁	715	680	3.30	18.60	0.12	0.21
7	A₁	266	254	0.01	2.76	0.63	0.77
8	A₂	3159	3006	0.00	18.60	0.75	0.86
9	A₂	1471	1400	0.00	26.08	0.75	0.86
10	A₂	965	919	0.00	2.82	0.75	0.86
11	A₂	183	174	0.00	0.21	0.75	0.86
12	B₁	3151	2999	25.95	145.78	0.75	0.86
13	B₁	1480	1409	22.43	0.01	0.75	0.86
14	B₁	1003	955	6.40	1.06	0.75	0.86
15	B₁	186	178	1.39	0.00	0.75	0.86
16	B₂	3181	3027	2.76	56.99	0.75	0.86
17	B₂	3069	2921	30.30	1.84	0.75	0.86
18	B₂	1486	1414	22.37	0.01	0.75	0.86
19	B₂	1363	1298	1.91	3.96	0.75	0.86
20	B₂	924	880	0.15	2.47	0.75	0.86
21	B₂	769	732	0.00	10.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.658
C2	0.000	1.381	-0.510
C3	0.000	-1.381	-0.510
H4	0.000	2.301	0.076
H5	0.000	-2.301	0.076
H6	0.893	1.369	-1.140
H7	-0.893	1.369	-1.140
H8	-0.893	-1.369	-1.140
H9	0.893	-1.369	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8090	1.8090	2.3731	2.3731	2.4302	2.4302	2.4302	2.4302
C2	1.8090		2.7618	1.0911	3.7281	1.0927	1.0927	2.9594	2.9594
C3	1.8090	2.7618		3.7281	1.0911	2.9594	2.9594	1.0927	1.0927
H4	2.3731	1.0911	3.7281		4.6015	1.7733	1.7733	3.9682	3.9682
H5	2.3731	3.7281	1.0911	4.6015		3.9682	3.9682	1.7733	1.7733
H6	2.4302	1.0927	2.9594	1.7733	3.9682		1.7863	3.2698	2.7387
H7	2.4302	1.0927	2.9594	1.7733	3.9682	1.7863		2.7387	3.2698
H8	2.4302	2.9594	1.0927	3.9682	1.7733	3.2698	2.7387		1.7863
H9	2.4302	2.9594	1.0927	3.9682	1.7733	2.7387	3.2698	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.221	S1	C2	H6	111.350
S1	C2	H7	111.350	S1	C3	H5	107.221
S1	C3	H8	111.350	S1	C3	H9	111.350
C2	S1	C3	99.519	H4	C2	H6	108.586
H4	C2	H7	108.586	H5	C3	H8	108.586
H5	C3	H9	108.586	H6	C2	H7	109.642
H8	C3	H9	109.642

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

using model chemistry: mPW1PW91/6-31+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	0.086
2	C	-0.628
3	C	-0.628
4	H	0.200
5	H	0.200
6	H	0.192
7	H	0.192
8	H	0.192
9	H	0.192

<r²>	76.364
(<r²>)^1/2	8.739

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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