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	hartrees
Energy at 0K	-375.106557
Energy at 298.15K
HF Energy	-374.140554
Nuclear repulsion energy	105.194127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3244	3244
2	A'	3213	3213
3	A'	3149	3149
4	A'	1634	1634
5	A'	1421	1421
6	A'	1275	1275
7	A'	1012	1012
8	A'	561	561
9	A'	310	310
10	A"	985	985
11	A"	934	934
12	A"	557	557

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		1.3323	2.0757	1.0787	2.1170	2.0908
C2	1.3323		3.0213	2.1198	1.0796	1.0816
I3	2.0757	3.0213		2.6985	3.1619	4.0256
H4	1.0787	2.1198	2.6985		3.0870	2.4515
H5	2.1170	1.0796	3.1619	3.0870		1.8520
H6	2.0908	1.0816	4.0256	2.4515	1.8520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.391	C1	C2	H6	119.667
C2	C1	I3	123.405	C2	C1	H4	122.754
I3	C1	H4	113.841	H5	C2	H6	117.942

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

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

States and conformations

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