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	hartrees
Energy at 0K	-6996.516247
Energy at 298.15K
HF Energy	-6995.475562
Nuclear repulsion energy	212.979102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3106	3106
2	A'	3092	3092
3	A'	3028	3028
4	A'	1521	1521
5	A'	1502	1502
6	A'	1442	1442
7	A'	1280	1280
8	A'	1087	1087
9	A'	987	987
10	A'	505	505
11	A'	263	263
12	A"	3161	3161
13	A"	3124	3124
14	A"	1512	1512
15	A"	1280	1280
16	A"	1023	1023
17	A"	755	755
18	A"	274	274

Atom	x (Å)	y (Å)	z (Å)
C1	0.612	-1.453	0.000
C2	-0.583	-2.396	0.000
I3	0.000	0.645	0.000
H4	1.234	-1.573	0.890
H5	1.234	-1.573	-0.890
H6	-0.226	-3.436	0.000
H7	-1.207	-2.248	0.887
H8	-1.207	-2.248	-0.887

	C1	C2	I3	H4	H5	H6	H7	H8
C1		1.5227	2.1850	1.0923	1.0923	2.1529	2.1747	2.1747
C2	1.5227		3.0966	2.1841	2.1841	1.0993	1.0950	1.0950
I3	2.1850	3.0966		2.6894	2.6894	4.0871	3.2574	3.2574
H4	1.0923	2.1841	2.6894		1.7804	2.5283	2.5324	3.0939
H5	1.0923	2.1841	2.6894	1.7804		2.5283	3.0939	2.5324
H6	2.1529	1.0993	4.0871	2.5283	2.5283		1.7786	1.7786
H7	2.1747	1.0950	3.2574	2.5324	3.0939	1.7786		1.7743
H8	2.1747	1.0950	3.2574	3.0939	2.5324	1.7786	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.326	C1	C2	H7	111.300
C1	C2	H8	111.300	C2	C1	I3	112.029
C2	C1	H4	112.229	C2	C1	H5	112.229
I3	C1	H4	105.371	I3	C1	H5	105.371
H4	C1	H5	109.166	H6	C2	H7	108.298
H6	C2	H8	108.298	H7	C2	H8	108.223

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

using model chemistry: CCSD(T)=FULL/6-311G*

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(T)=FULL/6-311G*

States and conformations

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