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	hartrees
Energy at 0K
Energy at 298.15K	0.003281
HF Energy	0.003281
Nuclear repulsion energy	57.720329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3176	3093	3.47	138.42	0.02	0.05
2	A'	3078	2998	4.78	153.98	0.53	0.69
3	A'	3060	2981	2.16	109.94	0.26	0.41
4	A'	1430	1393	6.33	71.78	0.38	0.55
5	A'	1403	1367	5.25	53.21	0.57	0.73
6	A'	1354	1318	29.16	31.57	0.51	0.68
7	A'	1245	1213	201.98	95.46	0.37	0.54
8	A'	1155	1125	7.32	16.12	0.67	0.80
9	A'	1005	979	20.48	29.27	0.53	0.69
10	A'	687	669	56.83	79.44	0.33	0.50
11	A'	354	345	0.44	7.50	0.65	0.79
12	A"	3084	3004	3.93	50.30	0.75	0.86
13	A"	3015	2937	3.06	93.35	0.75	0.86
14	A"	1389	1353	1.50	55.35	0.75	0.86
15	A"	1119	1090	0.51	10.69	0.75	0.86
16	A"	989	963	0.67	27.02	0.75	0.86
17	A"	822	801	1.44	6.00	0.75	0.86
18	A"	208	203	0.02	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.635	-1.343	0.000
C2	-0.594	-2.188	0.000
I3	0.000	0.592	0.000
H4	1.264	-1.485	0.895
H5	1.264	-1.485	-0.895
H6	-0.341	-3.258	0.000
H7	-1.214	-1.991	0.885
H8	-1.214	-1.991	-0.885

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.4913	2.0372	1.1033	1.1033	2.1486	2.1491	2.1491
C2	1.4913		2.8433	2.1794	2.1794	1.0990	1.0978	1.0978
I3	2.0372	2.8433		2.5911	2.5911	3.8651	2.9882	2.9882
H4	1.1033	2.1794	2.5911		1.7897	2.5537	2.5293	3.0925
H5	1.1033	2.1794	2.5911	1.7897		2.5537	3.0925	2.5293
H6	2.1486	1.0990	3.8651	2.5537	2.5537		1.7744	1.7744
H7	2.1491	1.0978	2.9882	2.5293	3.0925	1.7744		1.7691
H8	2.1491	1.0978	2.9882	3.0925	2.5293	1.7744	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.189	C1	C2	H7	111.305
C1	C2	H8	111.305	C2	C1	I3	106.352
C2	C1	H4	113.436	C2	C1	H5	113.436
I3	C1	H4	107.432	I3	C1	H5	107.432
H4	C1	H5	108.405	H6	C2	H7	107.747
H6	C2	H8	107.747	H7	C2	H8	107.360

All results from a given calculation for C₂H₅I (Ethyl iodide)

using model chemistry: PM3

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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All results from a given calculation for C2H5I (Ethyl iodide)

using model chemistry: PM3

States and conformations

All results from a given calculation for C₂H₅I (Ethyl iodide)