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	hartrees
Energy at 0K	-373.937324
Energy at 298.15K
HF Energy	-373.339749
Nuclear repulsion energy	121.247314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	2990	22.84
2	A'	3121	2978	0.15
3	A'	3056	2915	22.15
4	A'	1517	1447	1.27
5	A'	1499	1430	1.13
6	A'	1432	1366	3.68
7	A'	1271	1212	68.85
8	A'	1088	1038	0.12
9	A'	991	945	7.52
10	A'	539	515	4.65
11	A'	263	251	0.49
12	A"	3190	3043	5.27
13	A"	3146	3001	8.83
14	A"	1509	1439	9.24
15	A"	1280	1221	0.22
16	A"	1015	968	0.36
17	A"	757	722	3.83
18	A"	264	252	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.609	-1.425	0.000
C2	-0.580	-2.366	0.000
I3	0.000	0.635	0.000
H4	1.227	-1.542	0.884
H5	1.227	-1.542	-0.884
H6	-0.228	-3.400	0.000
H7	-1.201	-2.217	0.882
H8	-1.201	-2.217	-0.882

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5167	2.1489	1.0850	1.0850	2.1450	2.1634	2.1634
C2	1.5167		3.0573	2.1743	2.1743	1.0922	1.0888	1.0888
I3	2.1489	3.0573		2.6513	2.6513	4.0421	3.2175	3.2175
H4	1.0850	2.1743	2.6513		1.7684	2.5203	2.5201	3.0772
H5	1.0850	2.1743	2.6513	1.7684		2.5203	3.0772	2.5201
H6	2.1450	1.0922	4.0421	2.5203	2.5203		1.7680	1.7680
H7	2.1634	1.0888	3.2175	2.5201	3.0772	1.7680		1.7635
H8	2.1634	1.0888	3.2175	3.0772	2.5201	1.7680	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.540	C1	C2	H7	111.205
C1	C2	H8	111.205	C2	C1	I3	111.880
C2	C1	H4	112.323	C2	C1	H5	112.323
I3	C1	H4	105.348	I3	C1	H5	105.348
H4	C1	H5	109.157	H6	C2	H7	108.315
H6	C2	H8	108.315	H7	C2	H8	108.167

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

using model chemistry: CCSD/cc-pVTZ-PP

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: CCSD/cc-pVTZ-PP

States and conformations

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