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	hartrees
Energy at 0K	-476.758624
Energy at 298.15K
HF Energy	-476.758624
Nuclear repulsion energy	110.558613

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	3294	2991	15.82	115.95	0.70	0.82
2	A₁	3188	2895	35.52	275.77	0.00	0.01
3	A₁	1585	1439	0.65	21.40	0.75	0.86
4	A₁	1471	1336	1.85	0.07	0.73	0.85
5	A₁	1132	1028	11.76	4.59	0.40	0.57
6	A₁	738	670	5.15	27.67	0.15	0.25
7	A₁	282	256	0.06	2.57	0.63	0.78
8	A₂	3281	2979	0.00	16.18	0.75	0.86
9	A₂	1563	1419	0.00	28.48	0.75	0.86
10	A₂	1022	928	0.00	4.27	0.75	0.86
11	A₂	185	168	0.00	0.10	0.75	0.86
12	B₁	3277	2976	43.50	132.68	0.75	0.86
13	B₁	1572	1428	14.12	0.00	0.75	0.86
14	B₁	1058	961	4.23	3.34	0.75	0.86
15	B₁	196	178	1.35	0.09	0.75	0.86
16	B₂	3294	2991	6.37	65.41	0.75	0.86
17	B₂	3189	2895	43.79	0.02	0.75	0.86
18	B₂	1577	1432	15.01	0.05	0.75	0.86
19	B₂	1444	1311	13.09	0.34	0.75	0.86
20	B₂	979	889	0.19	1.50	0.75	0.86
21	B₂	800	727	0.84	14.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.655
C2	0.000	1.391	-0.509
C3	0.000	-1.391	-0.509
H4	0.000	2.304	0.085
H5	0.000	-2.304	0.085
H6	0.892	1.376	-1.135
H7	-0.892	1.376	-1.135
H8	-0.892	-1.376	-1.135
H9	0.892	-1.376	-1.135

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8130	1.8130	2.3739	2.3739	2.4277	2.4277	2.4277	2.4277
C2	1.8130		2.7815	1.0894	3.7425	1.0903	1.0903	2.9742	2.9742
C3	1.8130	2.7815		3.7425	1.0894	2.9742	2.9742	1.0903	1.0903
H4	2.3739	1.0894	3.7425		4.6089	1.7734	1.7734	3.9791	3.9791
H5	2.3739	3.7425	1.0894	4.6089		3.9791	3.9791	1.7734	1.7734
H6	2.4277	1.0903	2.9742	1.7734	3.9791		1.7843	3.2806	2.7530
H7	2.4277	1.0903	2.9742	1.7734	3.9791	1.7843		2.7530	3.2806
H8	2.4277	2.9742	1.0903	3.9791	1.7734	3.2806	2.7530		1.7843
H9	2.4277	2.9742	1.0903	3.9791	1.7734	2.7530	3.2806	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.100	S1	C2	H6	111.019
S1	C2	H7	111.019	S1	C3	H5	107.100
S1	C3	H8	111.019	S1	C3	H9	111.019
C2	S1	C3	100.188	H4	C2	H6	108.901
H4	C2	H7	108.901	H5	C3	H8	108.901
H5	C3	H9	108.901	H6	C2	H7	109.817
H8	C3	H9	109.817

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

using model chemistry: HF/cc-pVDZ

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	-0.101
2	C	-0.141
3	C	-0.141
4	H	0.070
5	H	0.070
6	H	0.061
7	H	0.061
8	H	0.061
9	H	0.061

<r²>	76.679
(<r²>)^1/2	8.757

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

using model chemistry: HF/cc-pVDZ

States and conformations

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