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	hartrees
Energy at 0K	-477.802334
Energy at 298.15K
HF Energy	-477.654559
Nuclear repulsion energy	110.544646

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	3156	3156	13.50	106.32	0.68	0.81
2	A₁	3055	3055	38.92	281.66	0.00	0.00
3	A₁	1502	1502	0.12	19.97	0.74	0.85
4	A₁	1398	1398	3.14	1.42	0.53	0.69
5	A₁	1070	1070	19.70	3.73	0.48	0.65
6	A₁	703	703	3.36	16.70	0.16	0.28
7	A₁	267	267	0.01	2.89	0.62	0.77
8	A₂	3139	3139	0.00	16.01	0.75	0.86
9	A₂	1474	1474	0.00	27.61	0.75	0.86
10	A₂	970	970	0.00	5.59	0.75	0.86
11	A₂	176	176	0.00	0.15	0.75	0.86
12	B₁	3132	3132	36.96	131.06	0.75	0.86
13	B₁	1483	1483	16.90	0.03	0.75	0.86
14	B₁	1013	1013	14.10	2.48	0.75	0.86
15	B₁	185	185	0.94	0.17	0.75	0.86
16	B₂	3157	3157	4.62	54.11	0.75	0.86
17	B₂	3058	3058	29.75	1.20	0.75	0.86
18	B₂	1492	1492	18.23	0.04	0.75	0.86
19	B₂	1372	1372	5.08	3.87	0.75	0.86
20	B₂	929	929	0.05	2.25	0.75	0.86
21	B₂	755	755	0.04	9.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.663
C2	0.000	1.381	-0.515
C3	0.000	-1.381	-0.515
H4	0.000	2.301	0.069
H5	0.000	-2.301	0.069
H6	0.893	1.364	-1.142
H7	-0.893	1.364	-1.142
H8	-0.893	-1.364	-1.142
H9	0.893	-1.364	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8150	1.8150	2.3766	2.3766	2.4319	2.4319	2.4319	2.4319
C2	1.8150		2.7626	1.0898	3.7286	1.0910	1.0910	2.9544	2.9544
C3	1.8150	2.7626		3.7286	1.0898	2.9544	2.9544	1.0910	1.0910
H4	2.3766	1.0898	3.7286		4.6026	1.7724	1.7724	3.9624	3.9624
H5	2.3766	3.7286	1.0898	4.6026		3.9624	3.9624	1.7724	1.7724
H6	2.4319	1.0910	2.9544	1.7724	3.9624		1.7853	3.2608	2.7287
H7	2.4319	1.0910	2.9544	1.7724	3.9624	1.7853		2.7287	3.2608
H8	2.4319	2.9544	1.0910	3.9624	1.7724	3.2608	2.7287		1.7853
H9	2.4319	2.9544	1.0910	3.9624	1.7724	2.7287	3.2608	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.144	S1	C2	H6	111.162
S1	C2	H7	111.162	S1	C3	H5	107.144
S1	C3	H8	111.162	S1	C3	H9	111.162
C2	S1	C3	99.111	H4	C2	H6	108.733
H4	C2	H7	108.733	H5	C3	H8	108.733
H5	C3	H9	108.733	H6	C2	H7	109.812
H8	C3	H9	109.812

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

using model chemistry: B2PLYP/6-311G**

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	0.065
2	C	-0.441
3	C	-0.441
4	H	0.141
5	H	0.141
6	H	0.134
7	H	0.134
8	H	0.134
9	H	0.134

<r²>	76.794
(<r²>)^1/2	8.763

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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