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	hartrees
Energy at 0K	-472.665663
Energy at 298.15K
HF Energy	-472.665663
Nuclear repulsion energy	109.865959

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	3469	3096	2.32	46.48	0.69	0.82
2	A₁	3279	2926	4.42	89.19	0.00	0.01
3	A₁	1693	1511	0.60	28.35	0.74	0.85
4	A₁	1560	1392	0.09	3.50	0.63	0.77
5	A₁	1142	1019	14.97	6.60	0.63	0.77
6	A₁	817	729	0.53	14.03	0.17	0.29
7	A₁	307	274	0.08	1.26	0.54	0.70
8	A₂	3439	3069	0.00	6.08	0.75	0.86
9	A₂	1674	1494	0.00	36.36	0.75	0.86
10	A₂	1050	937	0.00	5.00	0.75	0.86
11	A₂	178	159	0.00	0.09	0.75	0.86
12	B₁	3436	3066	13.09	48.43	0.75	0.86
13	B₁	1675	1495	8.94	0.41	0.75	0.86
14	B₁	1080	964	1.99	4.36	0.75	0.86
15	B₁	174	155	0.60	0.00	0.75	0.86
16	B₂	3468	3095	0.01	24.79	0.75	0.86
17	B₂	3280	2927	4.76	0.05	0.75	0.86
18	B₂	1690	1508	10.28	0.03	0.75	0.86
19	B₂	1532	1367	10.29	5.23	0.75	0.86
20	B₂	1017	908	0.27	1.31	0.75	0.86
21	B₂	863	770	0.08	7.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.683
C2	0.000	1.369	-0.525
C3	0.000	-1.369	-0.525
H4	0.000	2.319	0.031
H5	0.000	-2.319	0.031
H6	0.893	1.351	-1.172
H7	-0.893	1.351	-1.172
H8	-0.893	-1.351	-1.172
H9	0.893	-1.351	-1.172

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8254	1.8254	2.4086	2.4086	2.4623	2.4623	2.4623	2.4623
C2	1.8254		2.7383	1.1001	3.7294	1.1027	1.1027	2.9355	2.9355
C3	1.8254	2.7383		3.7294	1.1001	2.9355	2.9355	1.1027	1.1027
H4	2.4086	1.1001	3.7294		4.6374	1.7830	1.7830	3.9639	3.9639
H5	2.4086	3.7294	1.1001	4.6374		3.9639	3.9639	1.7830	1.7830
H6	2.4623	1.1027	2.9355	1.7830	3.9639		1.7851	3.2391	2.7028
H7	2.4623	1.1027	2.9355	1.7830	3.9639	1.7851		2.7028	3.2391
H8	2.4623	2.9355	1.1027	3.9639	1.7830	3.2391	2.7028		1.7851
H9	2.4623	2.9355	1.1027	3.9639	1.7830	2.7028	3.2391	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	108.265	S1	C2	H6	112.098
S1	C2	H7	112.098	S1	C3	H5	108.265
S1	C3	H8	112.098	S1	C3	H9	112.098
C2	S1	C3	97.186	H4	C2	H6	108.078
H4	C2	H7	108.078	H5	C3	H8	108.078
H5	C3	H9	108.078	H6	C2	H7	108.074
H8	C3	H9	108.074

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

using model chemistry: B3LYP/STO-3G

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	0.156
2	C	-0.306
3	C	-0.306
4	H	0.080
5	H	0.080
6	H	0.074
7	H	0.074
8	H	0.074
9	H	0.074

<r²>	75.373
(<r²>)^1/2	8.682

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

using model chemistry: B3LYP/STO-3G

States and conformations

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