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	hartrees
Energy at 0K	-372.694864
Energy at 298.15K
HF Energy	-372.140605
Nuclear repulsion energy	105.035448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3271	2.00
2	A'	3241	3241	4.34
3	A'	3174	3174	0.94
4	A'	1680	1680	27.46
5	A'	1436	1436	11.30
6	A'	1291	1291	42.45
7	A'	1026	1026	3.53
8	A'	572	572	6.64
9	A'	315	315	0.23
10	A"	1004	1004	33.58
11	A"	965	965	21.50
12	A"	564	564	16.55

Atom	x (Å)	y (Å)
C1	0.467	-1.456
C2	-0.448	-2.416
I3	0.000	0.576
H4	1.527	-1.657
H5	-1.507	-2.208
H6	-0.135	-3.452

	C1	C2	I3	H4	H5	H6
C1		1.3257	2.0855	1.0789	2.1121	2.0843
C2	1.3257		3.0257	2.1150	1.0799	1.0820
I3	2.0855	3.0257		2.7057	3.1657	4.0304
H4	1.0789	2.1150	2.7057		3.0833	2.4453
H5	2.1121	1.0799	3.1657	3.0833		1.8526
H6	2.0843	1.0820	4.0304	2.4453	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.477	C1	C2	H6	119.574
C2	C1	I3	123.457	C2	C1	H4	122.855
I3	C1	H4	113.689	H5	C2	H6	117.949

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

using model chemistry: CCD/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 C2H3I (Vinyl iodide)

using model chemistry: CCD/cc-pVTZ-PP

States and conformations

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