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	hartrees
Energy at 0K	-477.920984
Energy at 298.15K
HF Energy	-477.920984
Nuclear repulsion energy	108.276165

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	3210	3210	8.92	101.17	0.69	0.82
2	A₁	3086	3086	28.00	230.33	0.00	0.01
3	A₁	1536	1536	2.19	34.20	0.74	0.85
4	A₁	1429	1429	0.56	1.37	0.26	0.41
5	A₁	1089	1089	25.19	11.69	0.63	0.77
6	A₁	675	675	3.53	27.26	0.17	0.30
7	A₁	258	258	0.08	2.73	0.66	0.79
8	A₂	3193	3193	0.00	11.29	0.75	0.86
9	A₂	1519	1519	0.00	47.15	0.75	0.86
10	A₂	995	995	0.00	11.50	0.75	0.86
11	A₂	161	161	0.00	0.09	0.75	0.86
12	B₁	3188	3188	31.70	115.74	0.75	0.86
13	B₁	1528	1528	31.39	0.01	0.75	0.86
14	B₁	1028	1028	11.07	8.58	0.75	0.86
15	B₁	167	167	1.16	0.06	0.75	0.86
16	B₂	3210	3210	3.61	52.35	0.75	0.86
17	B₂	3089	3089	25.72	0.03	0.75	0.86
18	B₂	1527	1527	23.67	0.00	0.75	0.86
19	B₂	1405	1405	0.71	3.23	0.75	0.86
20	B₂	961	961	0.30	2.59	0.75	0.86
21	B₂	726	726	1.01	16.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.684
C2	0.000	1.417	-0.534
C3	0.000	-1.417	-0.534
H4	0.000	2.338	0.050
H5	0.000	-2.338	0.050
H6	0.895	1.381	-1.158
H7	-0.895	1.381	-1.158
H8	-0.895	-1.381	-1.158
H9	0.895	-1.381	-1.158

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8687	1.8687	2.4221	2.4221	2.4699	2.4699	2.4699	2.4699
C2	1.8687		2.8340	1.0905	3.7999	1.0916	1.0916	3.0031	3.0031
C3	1.8687	2.8340		3.7999	1.0905	3.0031	3.0031	1.0916	1.0916
H4	2.4221	1.0905	3.7999		4.6754	1.7821	1.7821	4.0110	4.0110
H5	2.4221	3.7999	1.0905	4.6754		4.0110	4.0110	1.7821	1.7821
H6	2.4699	1.0916	3.0031	1.7821	4.0110		1.7910	3.2917	2.7618
H7	2.4699	1.0916	3.0031	1.7821	4.0110	1.7910		2.7618	3.2917
H8	2.4699	3.0031	1.0916	4.0110	1.7821	3.2917	2.7618		1.7910
H9	2.4699	3.0031	1.0916	4.0110	1.7821	2.7618	3.2917	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.906	S1	C2	H6	110.315
S1	C2	H7	110.315	S1	C3	H5	106.906
S1	C3	H8	110.315	S1	C3	H9	110.315
C2	S1	C3	98.623	H4	C2	H6	109.505
H4	C2	H7	109.505	H5	C3	H8	109.505
H5	C3	H9	109.505	H6	C2	H7	110.231
H8	C3	H9	110.231

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

using model chemistry: wB97X-D/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	0.198
2	C	-0.686
3	C	-0.686
4	H	0.204
5	H	0.204
6	H	0.191
7	H	0.191
8	H	0.191
9	H	0.191

<r²>	78.939
(<r²>)^1/2	8.885

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

using model chemistry: wB97X-D/6-31G

States and conformations

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