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	hartrees
Energy at 0K	-373.961593
Energy at 298.15K
HF Energy	-373.339642
Nuclear repulsion energy	121.033673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3116	3116
2	A'	3096	3096
3	A'	3036	3036
4	A'	1502	1502
5	A'	1478	1478
6	A'	1410	1410
7	A'	1249	1249
8	A'	1073	1073
9	A'	977	977
10	A'	531	531
11	A'	259	259
12	A"	3165	3165
13	A"	3131	3131
14	A"	1493	1493
15	A"	1263	1263
16	A"	998	998
17	A"	746	746
18	A"	262	262

Atom	x (Å)	y (Å)	z (Å)
C1	0.611	-1.429	0.000
C2	-0.582	-2.369	0.000
I3	0.000	0.636	0.000
H4	1.230	-1.546	0.887
H5	1.230	-1.546	-0.887
H6	-0.231	-3.405	0.000
H7	-1.203	-2.215	0.883
H8	-1.203	-2.215	-0.883

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5188	2.1542	1.0877	1.0877	2.1480	2.1653	2.1653
C2	1.5188		3.0611	2.1789	2.1789	1.0939	1.0905	1.0905
I3	2.1542	3.0611		2.6571	2.6571	4.0481	3.2184	3.2184
H4	1.0877	2.1789	2.6571		1.7742	2.5259	2.5232	3.0823
H5	1.0877	2.1789	2.6571	1.7742		2.5259	3.0823	2.5232
H6	2.1480	1.0939	4.0481	2.5259	2.5259		1.7720	1.7720
H7	2.1653	1.0905	3.2184	2.5232	3.0823	1.7720		1.7666
H8	2.1653	1.0905	3.2184	3.0823	2.5232	1.7720	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.522	C1	C2	H7	111.101
C1	C2	H8	111.101	C2	C1	I3	111.734
C2	C1	H4	112.381	C2	C1	H5	112.381
I3	C1	H4	105.297	I3	C1	H5	105.297
H4	C1	H5	109.280	H6	C2	H7	108.425
H6	C2	H8	108.425	H7	C2	H8	108.184

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

using model chemistry: MP4/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: MP4/cc-pVTZ-PP

States and conformations

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