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	hartrees
Energy at 0K	-477.990289
Energy at 298.15K
HF Energy	-477.990289
Nuclear repulsion energy	111.334713

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	3160	3160	6.27	91.93	0.62	0.76
2	A₁	3057	3057	26.39	291.36	0.00	0.00
3	A₁	1494	1494	0.86	7.57	0.74	0.85
4	A₁	1369	1369	0.16	1.07	0.08	0.14
5	A₁	1053	1053	10.53	0.55	0.23	0.37
6	A₁	720	720	2.45	21.36	0.07	0.14
7	A₁	268	268	0.06	3.01	0.63	0.77
8	A₂	3140	3140	0.00	17.50	0.75	0.86
9	A₂	1469	1469	0.00	10.59	0.75	0.86
10	A₂	956	956	0.00	0.12	0.75	0.86
11	A₂	183	183	0.00	0.09	0.75	0.86
12	B₁	3132	3132	16.03	111.03	0.75	0.86
13	B₁	1479	1479	15.53	0.05	0.75	0.86
14	B₁	991	991	4.64	0.03	0.75	0.86
15	B₁	196	196	0.92	0.04	0.75	0.86
16	B₂	3161	3161	1.62	41.93	0.75	0.86
17	B₂	3061	3061	22.72	3.50	0.75	0.86
18	B₂	1486	1486	15.41	0.07	0.75	0.86
19	B₂	1343	1343	3.77	0.02	0.75	0.86
20	B₂	914	914	0.54	0.24	0.75	0.86
21	B₂	772	772	0.02	8.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.662
C2	0.000	1.365	-0.513
C3	0.000	-1.365	-0.513
H4	0.000	2.289	0.060
H5	0.000	-2.289	0.060
H6	0.891	1.335	-1.139
H7	-0.891	1.335	-1.139
H8	-0.891	-1.335	-1.139
H9	0.891	-1.335	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8012	1.8012	2.3666	2.3666	2.4124	2.4124	2.4124	2.4124
C2	1.8012		2.7296	1.0873	3.6982	1.0888	1.0888	2.9112	2.9112
C3	1.8012	2.7296		3.6982	1.0873	2.9112	2.9112	1.0888	1.0888
H4	2.3666	1.0873	3.6982		4.5774	1.7718	1.7718	3.9196	3.9196
H5	2.3666	3.6982	1.0873	4.5774		3.9196	3.9196	1.7718	1.7718
H6	2.4124	1.0888	2.9112	1.7718	3.9196		1.7819	3.2105	2.6706
H7	2.4124	1.0888	2.9112	1.7718	3.9196	1.7819		2.6706	3.2105
H8	2.4124	2.9112	1.0888	3.9196	1.7718	3.2105	2.6706		1.7819
H9	2.4124	2.9112	1.0888	3.9196	1.7718	2.6706	3.2105	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.442	S1	C2	H6	110.747
S1	C2	H7	110.747	S1	C3	H5	107.442
S1	C3	H8	110.747	S1	C3	H9	110.747
C2	S1	C3	98.522	H4	C2	H6	109.012
H4	C2	H7	109.012	H5	C3	H8	109.012
H5	C3	H9	109.012	H6	C2	H7	109.818
H8	C3	H9	109.818

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	-0.046
2	C	-0.615
3	C	-0.615
4	H	0.211
5	H	0.211
6	H	0.214
7	H	0.214
8	H	0.214
9	H	0.214

<r²>	75.521
(<r²>)^1/2	8.690

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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