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	hartrees
Energy at 0K	-477.930677
Energy at 298.15K
HF Energy	-477.930677
Nuclear repulsion energy	108.448505

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	3218	3218	19.37	90.68	0.68	0.81
2	A₁	3085	3085	36.61	277.20	0.00	0.01
3	A₁	1526	1526	2.94	29.21	0.74	0.85
4	A₁	1427	1427	0.02	0.27	0.35	0.51
5	A₁	1093	1093	26.36	14.94	0.60	0.75
6	A₁	674	674	3.51	38.03	0.14	0.25
7	A₁	259	259	0.24	2.70	0.65	0.79
8	A₂	3202	3202	0.00	9.85	0.75	0.86
9	A₂	1507	1507	0.00	33.74	0.75	0.86
10	A₂	996	996	0.00	13.66	0.75	0.86
11	A₂	158	158	0.00	0.31	0.75	0.86
12	B₁	3197	3197	63.27	88.89	0.75	0.86
13	B₁	1518	1518	33.83	0.16	0.75	0.86
14	B₁	1032	1032	12.47	7.97	0.75	0.86
15	B₁	169	169	1.37	0.15	0.75	0.86
16	B₂	3217	3217	9.21	51.15	0.75	0.86
17	B₂	3088	3088	42.04	0.00	0.75	0.86
18	B₂	1517	1517	21.47	0.00	0.75	0.86
19	B₂	1402	1402	0.01	1.03	0.75	0.86
20	B₂	963	963	0.44	3.11	0.75	0.86
21	B₂	722	722	1.33	19.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.680
C2	0.000	1.416	-0.531
C3	0.000	-1.416	-0.531
H4	0.000	2.336	0.055
H5	0.000	-2.336	0.055
H6	0.895	1.383	-1.156
H7	-0.895	1.383	-1.156
H8	-0.895	-1.383	-1.156
H9	0.895	-1.383	-1.156

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8637	1.8637	2.4183	2.4183	2.4670	2.4670	2.4670	2.4670
C2	1.8637		2.8322	1.0908	3.7977	1.0920	1.0920	3.0045	3.0045
C3	1.8637	2.8322		3.7977	1.0908	3.0045	3.0045	1.0920	1.0920
H4	2.4183	1.0908	3.7977		4.6721	1.7820	1.7820	4.0124	4.0124
H5	2.4183	3.7977	1.0908	4.6721		4.0124	4.0124	1.7820	1.7820
H6	2.4670	1.0920	3.0045	1.7820	4.0124		1.7900	3.2949	2.7662
H7	2.4670	1.0920	3.0045	1.7820	4.0124	1.7900		2.7662	3.2949
H8	2.4670	3.0045	1.0920	4.0124	1.7820	3.2949	2.7662		1.7900
H9	2.4670	3.0045	1.0920	4.0124	1.7820	2.7662	3.2949	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.946	S1	C2	H6	110.425
S1	C2	H7	110.425	S1	C3	H5	106.946
S1	C3	H8	110.425	S1	C3	H9	110.425
C2	S1	C3	98.902	H4	C2	H6	109.447
H4	C2	H7	109.447	H5	C3	H8	109.447
H5	C3	H9	109.447	H6	C2	H7	110.092
H8	C3	H9	110.092

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

using model chemistry: wB97X-D/SDD

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	0.141
2	C	-0.805
3	C	-0.805
4	H	0.250
5	H	0.250
6	H	0.242
7	H	0.242
8	H	0.242
9	H	0.242

<r²>	78.717
(<r²>)^1/2	8.872

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

using model chemistry: wB97X-D/SDD

States and conformations

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