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	hartrees
Energy at 0K	-477.987454
Energy at 298.15K
HF Energy	-477.987454
Nuclear repulsion energy	110.389365

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	3170	3020	8.01	110.35	0.67	0.80
2	A₁	3047	2902	30.32	288.77	0.00	0.00
3	A₁	1467	1397	0.59	23.11	0.75	0.86
4	A₁	1355	1291	0.65	0.94	0.23	0.37
5	A₁	1046	997	12.19	4.63	0.49	0.66
6	A₁	714	681	3.68	17.11	0.15	0.25
7	A₁	270	257	0.11	2.51	0.65	0.79
8	A₂	3148	2999	0.00	15.78	0.75	0.86
9	A₂	1445	1376	0.00	30.65	0.75	0.86
10	A₂	949	904	0.00	4.50	0.75	0.86
11	A₂	179	171	0.00	0.11	0.75	0.86
12	B₁	3141	2992	27.79	129.27	0.75	0.86
13	B₁	1454	1385	16.56	0.00	0.75	0.86
14	B₁	986	939	6.51	3.98	0.75	0.86
15	B₁	188	179	1.30	0.11	0.75	0.86
16	B₂	3171	3021	2.25	60.08	0.75	0.86
17	B₂	3050	2906	30.94	0.60	0.75	0.86
18	B₂	1459	1390	18.21	0.13	0.75	0.86
19	B₂	1329	1266	5.76	2.23	0.75	0.86
20	B₂	908	865	0.74	2.02	0.75	0.86
21	B₂	767	730	0.01	8.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.662
C2	0.000	1.381	-0.513
C3	0.000	-1.381	-0.513
H4	0.000	2.308	0.076
H5	0.000	-2.308	0.076
H6	0.900	1.362	-1.146
H7	-0.900	1.362	-1.146
H8	-0.900	-1.362	-1.146
H9	0.900	-1.362	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8133	1.8133	2.3818	2.3818	2.4363	2.4363	2.4363	2.4363
C2	1.8133		2.7619	1.0986	3.7361	1.1004	1.1004	2.9557	2.9557
C3	1.8133	2.7619		3.7361	1.0986	2.9557	2.9557	1.1004	1.1004
H4	2.3818	1.0986	3.7361		4.6169	1.7883	1.7883	3.9721	3.9721
H5	2.3818	3.7361	1.0986	4.6169		3.9721	3.9721	1.7883	1.7883
H6	2.4363	1.1004	2.9557	1.7883	3.9721		1.7995	3.2653	2.7246
H7	2.4363	1.1004	2.9557	1.7883	3.9721	1.7995		2.7246	3.2653
H8	2.4363	2.9557	1.1004	3.9721	1.7883	3.2653	2.7246		1.7995
H9	2.4363	2.9557	1.1004	3.9721	1.7883	2.7246	3.2653	1.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.194	S1	C2	H6	111.102
S1	C2	H7	111.102	S1	C3	H5	107.194
S1	C3	H8	111.102	S1	C3	H9	111.102
C2	S1	C3	99.204	H4	C2	H6	108.826
H4	C2	H7	108.826	H5	C3	H8	108.826
H5	C3	H9	108.826	H6	C2	H7	109.706
H8	C3	H9	109.706

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

using model chemistry: wB97X-D/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	-0.085
2	C	-0.178
3	C	-0.178
4	H	0.078
5	H	0.078
6	H	0.071
7	H	0.071
8	H	0.071
9	H	0.071

<r²>	76.323
(<r²>)^1/2	8.736

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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