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	hartrees
Energy at 0K	-476.803981
Energy at 298.15K
HF Energy	-476.803981
Nuclear repulsion energy	111.101232

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	2950	17.81	91.40	0.68	0.81
2	A₁	3171	2869	37.42	318.35	0.00	0.00
3	A₁	1606	1453	1.13	7.40	0.74	0.85
4	A₁	1492	1350	1.37	2.21	0.04	0.09
5	A₁	1144	1035	10.90	0.63	0.18	0.30
6	A₁	741	671	3.63	28.85	0.09	0.17
7	A₁	282	255	0.03	2.78	0.62	0.76
8	A₂	3247	2937	0.00	18.25	0.75	0.86
9	A₂	1583	1432	0.00	9.89	0.75	0.86
10	A₂	1035	936	0.00	0.16	0.75	0.86
11	A₂	191	173	0.00	0.08	0.75	0.86
12	B₁	3242	2933	36.84	117.96	0.75	0.86
13	B₁	1593	1441	13.41	0.04	0.75	0.86
14	B₁	1070	968	2.86	0.00	0.75	0.86
15	B₁	200	181	0.92	0.05	0.75	0.86
16	B₂	3261	2950	7.40	49.99	0.75	0.86
17	B₂	3172	2870	38.46	2.07	0.75	0.86
18	B₂	1599	1446	13.46	0.06	0.75	0.86
19	B₂	1467	1327	9.16	0.20	0.75	0.86
20	B₂	991	896	0.06	0.07	0.75	0.86
21	B₂	805	728	0.92	12.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.651
C2	0.000	1.387	-0.506
C3	0.000	-1.387	-0.506
H4	0.000	2.294	0.082
H5	0.000	-2.294	0.082
H6	0.885	1.372	-1.127
H7	-0.885	1.372	-1.127
H8	-0.885	-1.372	-1.127
H9	0.885	-1.372	-1.127

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8059	1.8059	2.3632	2.3632	2.4136	2.4136	2.4136	2.4136
C2	1.8059		2.7741	1.0805	3.7274	1.0812	1.0812	2.9632	2.9632
C3	1.8059	2.7741		3.7274	1.0805	2.9632	2.9632	1.0812	1.0812
H4	2.3632	1.0805	3.7274		4.5875	1.7591	1.7591	3.9600	3.9600
H5	2.3632	3.7274	1.0805	4.5875		3.9600	3.9600	1.7591	1.7591
H6	2.4136	1.0812	2.9632	1.7591	3.9600		1.7690	3.2646	2.7438
H7	2.4136	1.0812	2.9632	1.7591	3.9600	1.7690		2.7438	3.2646
H8	2.4136	2.9632	1.0812	3.9600	1.7591	3.2646	2.7438		1.7690
H9	2.4136	2.9632	1.0812	3.9600	1.7591	2.7438	3.2646	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.235	S1	C2	H6	110.939
S1	C2	H7	110.939	S1	C3	H5	107.235
S1	C3	H8	110.939	S1	C3	H9	110.939
C2	S1	C3	100.365	H4	C2	H6	108.934
H4	C2	H7	108.934	H5	C3	H8	108.934
H5	C3	H9	108.934	H6	C2	H7	109.786
H8	C3	H9	109.786

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.529
2	C	-1.174
3	C	-1.174
4	H	0.517
5	H	0.517
6	H	0.461
7	H	0.461
8	H	0.461
9	H	0.461

<r²>	76.249
(<r²>)^1/2	8.732

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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