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	hartrees
Energy at 0K	-475.576465
Energy at 298.15K
HF Energy	-475.576465
Nuclear repulsion energy	107.865998

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	3.92	92.77	0.70	0.83
2	A₁	3101	3101	17.60	196.31	0.00	0.01
3	A₁	1551	1551	2.79	34.34	0.74	0.85
4	A₁	1424	1424	0.03	1.09	0.26	0.42
5	A₁	1082	1082	22.91	11.21	0.66	0.79
6	A₁	654	654	4.20	25.87	0.17	0.30
7	A₁	252	252	0.12	3.01	0.68	0.81
8	A₂	3200	3200	0.00	9.08	0.75	0.86
9	A₂	1536	1536	0.00	48.06	0.75	0.86
10	A₂	982	982	0.00	10.23	0.75	0.86
11	A₂	161	161	0.00	0.07	0.75	0.86
12	B₁	3196	3196	18.13	99.17	0.75	0.86
13	B₁	1547	1547	33.77	0.00	0.75	0.86
14	B₁	1015	1015	12.36	8.77	0.75	0.86
15	B₁	169	169	1.12	0.07	0.75	0.86
16	B₂	3210	3210	1.07	45.09	0.75	0.86
17	B₂	3104	3104	14.38	0.25	0.75	0.86
18	B₂	1541	1541	24.92	0.01	0.75	0.86
19	B₂	1398	1398	0.47	2.20	0.75	0.86
20	B₂	958	958	0.79	2.10	0.75	0.86
21	B₂	698	698	1.58	15.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.694
C2	0.000	1.418	-0.544
C3	0.000	-1.418	-0.544
H4	0.000	2.340	0.038
H5	0.000	-2.340	0.038
H6	0.898	1.366	-1.162
H7	-0.898	1.366	-1.162
H8	-0.898	-1.366	-1.162
H9	0.898	-1.366	-1.162

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8825	1.8825	2.4300	2.4300	2.4732	2.4732	2.4732	2.4732
C2	1.8825		2.8354	1.0903	3.8022	1.0909	1.0909	2.9897	2.9897
C3	1.8825	2.8354		3.8022	1.0903	2.9897	2.9897	1.0909	1.0909
H4	2.4300	1.0903	3.8022		4.6793	1.7866	1.7866	3.9974	3.9974
H5	2.4300	3.8022	1.0903	4.6793		3.9974	3.9974	1.7866	1.7866
H6	2.4732	1.0909	2.9897	1.7866	3.9974		1.7962	3.2702	2.7327
H7	2.4732	1.0909	2.9897	1.7866	3.9974	1.7962		2.7327	3.2702
H8	2.4732	2.9897	1.0909	3.9974	1.7866	3.2702	2.7327		1.7962
H9	2.4732	2.9897	1.0909	3.9974	1.7866	2.7327	3.2702	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	106.593	S1	C2	H6	109.679
S1	C2	H7	109.679	S1	C3	H5	106.593
S1	C3	H8	109.679	S1	C3	H9	109.679
C2	S1	C3	97.722	H4	C2	H6	109.988
H4	C2	H7	109.988	H5	C3	H8	109.988
H5	C3	H9	109.988	H6	C2	H7	110.822
H8	C3	H9	110.822

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

using model chemistry: wB97X-D/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	0.243
2	C	-0.859
3	C	-0.859
4	H	0.254
5	H	0.254
6	H	0.242
7	H	0.242
8	H	0.242
9	H	0.242

<r²>	79.324
(<r²>)^1/2	8.906

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

using model chemistry: wB97X-D/3-21G

States and conformations

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