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	hartrees
Energy at 0K	-476.812905
Energy at 298.15K
HF Energy	-476.812905
Nuclear repulsion energy	111.259933

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	3259	2961	18.07	91.22	0.68	0.81
2	A₁	3170	2880	37.45	318.85	0.00	0.00
3	A₁	1606	1459	1.13	7.41	0.74	0.85
4	A₁	1494	1357	1.29	1.99	0.05	0.09
5	A₁	1145	1040	11.02	0.63	0.17	0.30
6	A₁	744	676	3.50	27.92	0.09	0.17
7	A₁	284	258	0.03	2.76	0.62	0.77
8	A₂	3245	2948	0.00	18.55	0.75	0.86
9	A₂	1583	1438	0.00	9.92	0.75	0.86
10	A₂	1035	941	0.00	0.16	0.75	0.86
11	A₂	193	176	0.00	0.08	0.75	0.86
12	B₁	3241	2944	37.06	118.28	0.75	0.86
13	B₁	1593	1447	13.47	0.04	0.75	0.86
14	B₁	1071	973	2.89	0.00	0.75	0.86
15	B₁	202	183	0.92	0.05	0.75	0.86
16	B₂	3260	2961	7.35	50.11	0.75	0.86
17	B₂	3171	2881	38.42	2.20	0.75	0.86
18	B₂	1599	1453	13.68	0.07	0.75	0.86
19	B₂	1469	1335	8.56	0.15	0.75	0.86
20	B₂	990	899	0.07	0.08	0.75	0.86
21	B₂	807	733	0.81	11.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.649
C2	0.000	1.385	-0.504
C3	0.000	-1.385	-0.504
H4	0.000	2.291	0.083
H5	0.000	-2.291	0.083
H6	0.884	1.371	-1.126
H7	-0.884	1.371	-1.126
H8	-0.884	-1.371	-1.126
H9	0.884	-1.371	-1.126

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8023	1.8023	2.3601	2.3601	2.4112	2.4112	2.4112	2.4112
C2	1.8023		2.7697	1.0801	3.7227	1.0809	1.0809	2.9605	2.9605
C3	1.8023	2.7697		3.7227	1.0801	2.9605	2.9605	1.0809	1.0809
H4	2.3601	1.0801	3.7227		4.5825	1.7579	1.7579	3.9570	3.9570
H5	2.3601	3.7227	1.0801	4.5825		3.9570	3.9570	1.7579	1.7579
H6	2.4112	1.0809	2.9605	1.7579	3.9570		1.7679	3.2630	2.7426
H7	2.4112	1.0809	2.9605	1.7579	3.9570	1.7679		2.7426	3.2630
H8	2.4112	2.9605	1.0809	3.9570	1.7579	3.2630	2.7426		1.7679
H9	2.4112	2.9605	1.0809	3.9570	1.7579	2.7426	3.2630	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.259	S1	C2	H6	111.015
S1	C2	H7	111.015	S1	C3	H5	107.259
S1	C3	H8	111.015	S1	C3	H9	111.015
C2	S1	C3	100.414	H4	C2	H6	108.872
H4	C2	H7	108.872	H5	C3	H8	108.872
H5	C3	H9	108.872	H6	C2	H7	109.731
H8	C3	H9	109.731

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

using model chemistry: HF/aug-cc-pVQZ

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	0.121
2	C	-0.962
3	C	-0.962
4	H	0.370
5	H	0.370
6	H	0.266
7	H	0.266
8	H	0.266
9	H	0.266

<r²>	76.079
(<r²>)^1/2	8.722

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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