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	hartrees
Energy at 0K	-477.968330
Energy at 298.15K
HF Energy	-477.968330
Nuclear repulsion energy	107.417757

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	3187	3066	11.51	99.72	0.69	0.82
2	A₁	3071	2954	28.62	237.62	0.00	0.00
3	A₁	1529	1471	1.13	34.21	0.74	0.85
4	A₁	1406	1352	2.08	2.27	0.21	0.34
5	A₁	1072	1032	23.99	12.01	0.64	0.78
6	A₁	638	614	3.28	25.83	0.18	0.30
7	A₁	245	236	0.11	3.00	0.64	0.78
8	A₂	3171	3050	0.00	12.91	0.75	0.86
9	A₂	1511	1453	0.00	47.30	0.75	0.86
10	A₂	975	938	0.00	12.61	0.75	0.86
11	A₂	161	155	0.00	0.09	0.75	0.86
12	B₁	3167	3047	36.55	114.80	0.75	0.86
13	B₁	1519	1461	24.50	0.02	0.75	0.86
14	B₁	1008	970	11.09	9.56	0.75	0.86
15	B₁	158	152	1.09	0.04	0.75	0.86
16	B₂	3187	3066	4.25	54.23	0.75	0.86
17	B₂	3073	2956	26.41	0.01	0.75	0.86
18	B₂	1520	1462	21.59	0.03	0.75	0.86
19	B₂	1381	1329	4.14	3.78	0.75	0.86
20	B₂	944	908	0.22	3.30	0.75	0.86
21	B₂	687	661	1.20	15.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.688
C2	0.000	1.435	-0.539
C3	0.000	-1.435	-0.539
H4	0.000	2.350	0.056
H5	0.000	-2.350	0.056
H6	0.897	1.402	-1.161
H7	-0.897	1.402	-1.161
H8	-0.897	-1.402	-1.161
H9	0.897	-1.402	-1.161

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8881	1.8881	2.4330	2.4330	2.4874	2.4874	2.4874	2.4874
C2	1.8881		2.8705	1.0910	3.8314	1.0921	1.0921	3.0397	3.0397
C3	1.8881	2.8705		3.8314	1.0910	3.0397	3.0397	1.0921	1.0921
H4	2.4330	1.0910	3.8314		4.6992	1.7846	1.7846	4.0445	4.0445
H5	2.4330	3.8314	1.0910	4.6992		4.0445	4.0445	1.7846	1.7846
H6	2.4874	1.0921	3.0397	1.7846	4.0445		1.7943	3.3284	2.8034
H7	2.4874	1.0921	3.0397	1.7846	4.0445	1.7943		2.8034	3.3284
H8	2.4874	3.0397	1.0921	4.0445	1.7846	3.3284	2.8034		1.7943
H9	2.4874	3.0397	1.0921	4.0445	1.7846	2.8034	3.3284	1.7943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.417	S1	C2	H6	110.281
S1	C2	H7	110.281	S1	C3	H5	106.417
S1	C3	H8	110.281	S1	C3	H9	110.281
C2	S1	C3	98.958	H4	C2	H6	109.658
H4	C2	H7	109.658	H5	C3	H8	109.658
H5	C3	H9	109.658	H6	C2	H7	110.462
H8	C3	H9	110.462

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

using model chemistry: B3LYP/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	0.178
2	C	-0.611
3	C	-0.611
4	H	0.180
5	H	0.180
6	H	0.171
7	H	0.171
8	H	0.171
9	H	0.171

<r²>	80.163
(<r²>)^1/2	8.953

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

using model chemistry: B3LYP/6-31G

States and conformations

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