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	hartrees
Energy at 0K	-476.799496
Energy at 298.15K
HF Energy	-476.799496
Nuclear repulsion energy	111.292856

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	3261	2956	19.41	101.92	0.69	0.81
2	A₁	3172	2875	37.15	303.62	0.00	0.00
3	A₁	1607	1456	0.89	12.56	0.75	0.86
4	A₁	1495	1355	1.50	0.59	0.16	0.28
5	A₁	1144	1037	10.84	3.48	0.25	0.40
6	A₁	744	674	3.68	24.54	0.14	0.25
7	A₁	284	257	0.03	2.37	0.61	0.76
8	A₂	3247	2943	0.00	16.89	0.75	0.86
9	A₂	1583	1435	0.00	16.43	0.75	0.86
10	A₂	1035	938	0.00	2.29	0.75	0.86
11	A₂	191	173	0.00	0.12	0.75	0.86
12	B₁	3243	2939	44.47	117.08	0.75	0.86
13	B₁	1592	1443	14.06	0.38	0.75	0.86
14	B₁	1071	970	3.37	1.07	0.75	0.86
15	B₁	201	182	1.21	0.17	0.75	0.86
16	B₂	3261	2956	8.25	54.42	0.75	0.86
17	B₂	3173	2876	39.58	0.46	0.75	0.86
18	B₂	1599	1450	13.90	0.08	0.75	0.86
19	B₂	1470	1332	9.10	0.04	0.75	0.86
20	B₂	989	896	0.05	0.87	0.75	0.86
21	B₂	807	732	0.61	12.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.649
C2	0.000	1.384	-0.504
C3	0.000	-1.384	-0.504
H4	0.000	2.291	0.084
H5	0.000	-2.291	0.084
H6	0.884	1.371	-1.127
H7	-0.884	1.371	-1.127
H8	-0.884	-1.371	-1.127
H9	0.884	-1.371	-1.127

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8013	1.8013	2.3594	2.3594	2.4114	2.4114	2.4114	2.4114
C2	1.8013		2.7674	1.0807	3.7211	1.0814	1.0814	2.9594	2.9594
C3	1.8013	2.7674		3.7211	1.0807	2.9594	2.9594	1.0814	1.0814
H4	2.3594	1.0807	3.7211		4.5813	1.7584	1.7584	3.9566	3.9566
H5	2.3594	3.7211	1.0807	4.5813		3.9566	3.9566	1.7584	1.7584
H6	2.4114	1.0814	2.9594	1.7584	3.9566		1.7683	3.2629	2.7421
H7	2.4114	1.0814	2.9594	1.7584	3.9566	1.7683		2.7421	3.2629
H8	2.4114	2.9594	1.0814	3.9566	1.7584	3.2629	2.7421		1.7683
H9	2.4114	2.9594	1.0814	3.9566	1.7584	2.7421	3.2629	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.248	S1	C2	H6	111.074
S1	C2	H7	111.074	S1	C3	H5	107.248
S1	C3	H8	111.074	S1	C3	H9	111.074
C2	S1	C3	100.384	H4	C2	H6	108.837
H4	C2	H7	108.837	H5	C3	H8	108.837
H5	C3	H9	108.837	H6	C2	H7	109.690
H8	C3	H9	109.690

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

using model chemistry: HF/Def2TZVPP

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	-0.049
2	C	-0.217
3	C	-0.217
4	H	0.091
5	H	0.091
6	H	0.075
7	H	0.075
8	H	0.075
9	H	0.075

<r²>	75.989
(<r²>)^1/2	8.717

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

using model chemistry: HF/Def2TZVPP

States and conformations

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