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	hartrees
Energy at 0K
Energy at 298.15K	0.002022
HF Energy	0.002022
Nuclear repulsion energy	55.222354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2783	2957	37.94
2	A'	2733	2904	73.64
3	A'	2683	2850	54.03
4	A'	1332	1415	81.87
5	A'	1279	1359	26.98
6	A'	1248	1325	47.08
7	A'	1185	1258	7.37
8	A'	1147	1218	47.79
9	A'	1003	1065	52.56
10	A'	514	546	27.46
11	A'	235	249	3.25
12	A"	2693	2861	152.10
13	A"	2662	2828	21.95
14	A"	1240	1317	40.56
15	A"	1129	1199	4.22
16	A"	938	996	20.46
17	A"	714	758	29.07
18	A"	166	177	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.609	-1.448	0.000
C2	-0.575	-2.374	0.000
I3	0.000	0.641	0.000
H4	1.238	-1.567	0.894
H5	1.238	-1.567	-0.894
H6	-0.248	-3.426	0.000
H7	-1.216	-2.236	0.883
H8	-1.216	-2.236	-0.883

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5036	2.1754	1.1002	1.1002	2.1560	2.1752	2.1752
C2	1.5036		3.0697	2.1772	2.1772	1.1010	1.0997	1.0997
I3	2.1754	3.0697		2.6850	2.6850	4.0744	3.2461	3.2461
H4	1.1002	2.1772	2.6850		1.7886	2.5426	2.5439	3.1033
H5	1.1002	2.1772	2.6850	1.7886		2.5426	3.1033	2.5439
H6	2.1560	1.1010	4.0744	2.5426	2.5426		1.7694	1.7694
H7	2.1752	1.0997	3.2461	2.5439	3.1033	1.7694		1.7661
H8	2.1752	1.0997	3.2461	3.1033	2.5439	1.7694	1.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.791	C1	C2	H7	112.423
C1	C2	H8	112.423	C2	C1	I3	111.804
C2	C1	H4	112.553	C2	C1	H5	112.553
I3	C1	H4	105.339	I3	C1	H5	105.339
H4	C1	H5	108.754	H6	C2	H7	107.026
H6	C2	H8	107.026	H7	C2	H8	106.823

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

using model chemistry: PM6

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: PM6

States and conformations

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