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	hartrees
Energy at 0K	-376.221724
Energy at 298.15K
HF Energy	-375.339421
Nuclear repulsion energy	121.334449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3118	3118
2	A'	3099	3099
3	A'	3039	3039
4	A'	1500	1500
5	A'	1475	1475
6	A'	1413	1413
7	A'	1244	1244
8	A'	1071	1071
9	A'	975	975
10	A'	531	531
11	A'	260	260
12	A"	3169	3169
13	A"	3133	3133
14	A"	1492	1492
15	A"	1262	1262
16	A"	996	996
17	A"	743	743
18	A"	260	260

Atom	x (Å)	y (Å)	z (Å)
C1	0.611	-1.422	0.000
C2	-0.582	-2.362	0.000
I3	0.000	0.634	0.000
H4	1.229	-1.537	0.887
H5	1.229	-1.537	-0.887
H6	-0.230	-3.398	0.000
H7	-1.202	-2.208	0.884
H8	-1.202	-2.208	-0.884

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5189	2.1450	1.0873	1.0873	2.1475	2.1647	2.1647
C2	1.5189		3.0522	2.1791	2.1791	1.0938	1.0903	1.0903
I3	2.1450	3.0522		2.6480	2.6480	4.0385	3.2100	3.2100
H4	1.0873	2.1791	2.6480		1.7740	2.5258	2.5223	3.0817
H5	1.0873	2.1791	2.6480	1.7740		2.5258	3.0817	2.5223
H6	2.1475	1.0938	4.0385	2.5258	2.5258		1.7721	1.7721
H7	2.1647	1.0903	3.2100	2.5223	3.0817	1.7721		1.7670
H8	2.1647	1.0903	3.2100	3.0817	2.5223	1.7721	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.485	C1	C2	H7	111.057
C1	C2	H8	111.057	C2	C1	I3	111.688
C2	C1	H4	112.404	C2	C1	H5	112.404
I3	C1	H4	105.272	I3	C1	H5	105.272
H4	C1	H5	109.326	H6	C2	H7	108.456
H6	C2	H8	108.456	H7	C2	H8	108.252

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

using model chemistry: MP4/Def2TZVPP

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: MP4/Def2TZVPP

States and conformations

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