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	hartrees
Energy at 0K	-375.106104
Energy at 298.15K
HF Energy	-374.140571
Nuclear repulsion energy	105.211360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3246	3246
2	A'	3214	3214
3	A'	3150	3150
4	A'	1636	1636
5	A'	1421	1421
6	A'	1276	1276
7	A'	1014	1014
8	A'	562	562
9	A'	310	310
10	A"	986	986
11	A"	936	936
12	A"	559	559

Atom	x (Å)	y (Å)
C1	0.469	-1.447
C2	-0.449	-2.413
I3	0.000	0.575
H4	1.528	-1.649
H5	-1.508	-2.204
H6	-0.137	-3.448

	C1	C2	I3	H4	H5	H6
C1		1.3320	2.0754	1.0786	2.1166	2.0905
C2	1.3320		3.0208	2.1194	1.0795	1.0815
I3	2.0754	3.0208		2.6984	3.1612	4.0250
H4	1.0786	2.1194	2.6984		3.0865	2.4510
H5	2.1166	1.0795	3.1612	3.0865		1.8518
H6	2.0905	1.0815	4.0250	2.4510	1.8518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.386	C1	C2	H6	119.672
C2	C1	I3	123.403	C2	C1	H4	122.744
I3	C1	H4	113.853	H5	C2	H6	117.942

All results from a given calculation for C₂H₃I (Vinyl iodide)

using model chemistry: CCSD(T)=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 C2H3I (Vinyl iodide)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃I (Vinyl iodide)