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	hartrees
Energy at 0K	-376.349383
Energy at 298.15K
HF Energy	-375.339479
Nuclear repulsion energy	121.659521

Atom	x (Å)	y (Å)	z (Å)
C1	0.610	-1.417	0.000
C2	-0.581	-2.356	0.000
I3	0.000	0.632	0.000
H4	1.227	-1.532	0.885
H5	1.227	-1.532	-0.885
H6	-0.231	-3.390	0.000
H7	-1.200	-2.202	0.882
H8	-1.200	-2.202	-0.882

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5164	2.1378	1.0851	1.0851	2.1447	2.1610	2.1610
C2	1.5164		3.0435	2.1753	2.1753	1.0918	1.0882	1.0882
I3	2.1378	3.0435		2.6402	2.6402	4.0284	3.2012	3.2012
H4	1.0851	2.1753	2.6402		1.7703	2.5225	2.5182	3.0761
H5	1.0851	2.1753	2.6402	1.7703		2.5225	3.0761	2.5182
H6	2.1447	1.0918	4.0284	2.5225	2.5225		1.7685	1.7685
H7	2.1610	1.0882	3.2012	2.5182	3.0761	1.7685		1.7632
H8	2.1610	1.0882	3.2012	3.0761	2.5182	1.7685	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.552	C1	C2	H7	111.066
C1	C2	H8	111.066	C2	C1	I3	111.663
C2	C1	H4	112.414	C2	C1	H5	112.414
I3	C1	H4	105.283	I3	C1	H5	105.283
H4	C1	H5	109.308	H6	C2	H7	108.430
H6	C2	H8	108.430	H7	C2	H8	108.216

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

using model chemistry: MP4=FULL/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=FULL/Def2TZVPP

States and conformations

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