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	hartrees
Energy at 0K	-477.931107
Energy at 298.15K
HF Energy	-477.931107
Nuclear repulsion energy	110.751547

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	3181	3029	8.49	122.85	0.64	0.78
2	A₁	3071	2924	34.04	270.84	0.00	0.00
3	A₁	1497	1425	0.69	18.75	0.72	0.83
4	A₁	1386	1320	1.14	1.21	0.75	0.85
5	A₁	1062	1012	15.64	3.78	0.48	0.65
6	A₁	719	685	3.34	22.67	0.11	0.21
7	A₁	271	258	0.00	2.58	0.64	0.78
8	A₂	3161	3010	0.00	16.14	0.75	0.86
9	A₂	1471	1401	0.00	28.28	0.75	0.86
10	A₂	962	916	0.00	2.81	0.75	0.86
11	A₂	181	172	0.00	0.20	0.75	0.86
12	B₁	3153	3002	25.48	145.41	0.75	0.86
13	B₁	1481	1411	21.23	0.00	0.75	0.86
14	B₁	998	950	4.99	1.36	0.75	0.86
15	B₁	193	184	1.17	0.00	0.75	0.86
16	B₂	3182	3030	3.70	54.70	0.75	0.86
17	B₂	3075	2928	26.60	0.72	0.75	0.86
18	B₂	1488	1416	19.91	0.02	0.75	0.86
19	B₂	1358	1293	3.27	3.71	0.75	0.86
20	B₂	923	879	0.10	2.05	0.75	0.86
21	B₂	771	734	0.02	12.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.667
C2	0.000	1.371	-0.517
C3	0.000	-1.371	-0.517
H4	0.000	2.300	0.056
H5	0.000	-2.300	0.056
H6	0.894	1.345	-1.146
H7	-0.894	1.345	-1.146
H8	-0.894	-1.345	-1.146
H9	0.894	-1.345	-1.146

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8114	1.8114	2.3794	2.3794	2.4276	2.4276	2.4276	2.4276
C2	1.8114		2.7417	1.0911	3.7148	1.0929	1.0929	2.9272	2.9272
C3	1.8114	2.7417		3.7148	1.0911	2.9272	2.9272	1.0929	1.0929
H4	2.3794	1.0911	3.7148		4.5991	1.7758	1.7758	3.9400	3.9400
H5	2.3794	3.7148	1.0911	4.5991		3.9400	3.9400	1.7758	1.7758
H6	2.4276	1.0929	2.9272	1.7758	3.9400		1.7871	3.2293	2.6897
H7	2.4276	1.0929	2.9272	1.7758	3.9400	1.7871		2.6897	3.2293
H8	2.4276	2.9272	1.0929	3.9400	1.7758	3.2293	2.6897		1.7871
H9	2.4276	2.9272	1.0929	3.9400	1.7758	2.6897	3.2293	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.519	S1	C2	H6	110.982
S1	C2	H7	110.982	S1	C3	H5	107.519
S1	C3	H8	110.982	S1	C3	H9	110.982
C2	S1	C3	98.359	H4	C2	H6	108.794
H4	C2	H7	108.794	H5	C3	H8	108.794
H5	C3	H9	108.794	H6	C2	H7	109.694
H8	C3	H9	109.694

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

using model chemistry: M06-2X/6-31+G**

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	0.106
2	C	-0.611
3	C	-0.611
4	H	0.192
5	H	0.192
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	76.234
(<r²>)^1/2	8.731

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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