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	hartrees
Energy at 0K	-475.429512
Energy at 298.15K
HF Energy	-475.326482
Nuclear repulsion energy	110.130714

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	3163	3163	9.93	92.77	0.70	0.82
2	A₁	3073	3073	26.02	201.79	0.00	0.00
3	A₁	1577	1577	0.54	36.87	0.75	0.86
4	A₁	1455	1455	0.61	6.17	0.23	0.37
5	A₁	1107	1107	21.20	9.08	0.63	0.77
6	A₁	686	686	3.16	16.69	0.17	0.29
7	A₁	269	269	0.07	2.15	0.63	0.77
8	A₂	3151	3151	0.00	11.78	0.75	0.86
9	A₂	1555	1555	0.00	50.47	0.75	0.86
10	A₂	1010	1010	0.00	8.24	0.75	0.86
11	A₂	195	195	0.00	0.07	0.75	0.86
12	B₁	3146	3146	29.97	104.59	0.75	0.86
13	B₁	1564	1564	22.16	0.00	0.75	0.86
14	B₁	1045	1045	11.10	7.19	0.75	0.86
15	B₁	188	188	1.18	0.01	0.75	0.86
16	B₂	3164	3164	3.34	47.35	0.75	0.86
17	B₂	3076	3076	22.27	0.04	0.75	0.86
18	B₂	1568	1568	21.98	0.01	0.75	0.86
19	B₂	1432	1432	1.11	7.58	0.75	0.86
20	B₂	971	971	0.60	2.54	0.75	0.86
21	B₂	736	736	0.08	9.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.384	-0.520
C3	0.000	-1.384	-0.520
H4	0.000	2.311	0.057
H5	0.000	-2.311	0.057
H6	0.893	1.357	-1.148
H7	-0.893	1.357	-1.148
H8	-0.893	-1.357	-1.148
H9	0.893	-1.357	-1.148

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8247	1.8247	2.3907	2.3907	2.4383	2.4383	2.4383	2.4383
C2	1.8247		2.7672	1.0919	3.7392	1.0925	1.0925	2.9502	2.9502
C3	1.8247	2.7672		3.7392	1.0919	2.9502	2.9502	1.0925	1.0925
H4	2.3907	1.0919	3.7392		4.6217	1.7777	1.7777	3.9628	3.9628
H5	2.3907	3.7392	1.0919	4.6217		3.9628	3.9628	1.7777	1.7777
H6	2.4383	1.0925	2.9502	1.7777	3.9628		1.7861	3.2490	2.7140
H7	2.4383	1.0925	2.9502	1.7777	3.9628	1.7861		2.7140	3.2490
H8	2.4383	2.9502	1.0925	3.9628	1.7777	3.2490	2.7140		1.7861
H9	2.4383	2.9502	1.0925	3.9628	1.7777	2.7140	3.2490	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.432	S1	C2	H6	110.899
S1	C2	H7	110.899	S1	C3	H5	107.432
S1	C3	H8	110.899	S1	C3	H9	110.899
C2	S1	C3	98.624	H4	C2	H6	108.942
H4	C2	H7	108.942	H5	C3	H8	108.942
H5	C3	H9	108.942	H6	C2	H7	109.660
H8	C3	H9	109.660

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

using model chemistry: B2PLYP/3-21G*

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	0.148
2	C	-0.712
3	C	-0.712
4	H	0.220
5	H	0.220
6	H	0.209
7	H	0.209
8	H	0.209
9	H	0.209

<r²>	76.876
(<r²>)^1/2	8.768

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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