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	hartrees
Energy at 0K	-372.699678
Energy at 298.15K
HF Energy	-372.140493
Nuclear repulsion energy	104.914731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3263	2.29
2	A'	3233	3233	4.77
3	A'	3167	3167	1.21
4	A'	1665	1665	27.06
5	A'	1430	1430	11.85
6	A'	1285	1285	44.04
7	A'	1022	1022	3.61
8	A'	567	567	7.51
9	A'	313	313	0.21
10	A"	998	998	35.25
11	A"	956	956	19.14
12	A"	560	560	16.65

Atom	x (Å)	y (Å)
C1	0.468	-1.458
C2	-0.448	-2.419
I3	0.000	0.577
H4	1.528	-1.658
H5	-1.508	-2.210
H6	-0.135	-3.455

	C1	C2	I3	H4	H5	H6
C1		1.3282	2.0876	1.0792	2.1147	2.0866
C2	1.3282		3.0296	2.1182	1.0803	1.0824
I3	2.0876	3.0296		2.7074	3.1695	4.0345
H4	1.0792	2.1182	2.7074		3.0865	2.4489
H5	2.1147	1.0803	3.1695	3.0865		1.8535
H6	2.0866	1.0824	4.0345	2.4489	1.8535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.475	C1	C2	H6	119.558
C2	C1	I3	123.441	C2	C1	H4	122.919
I3	C1	H4	113.640	H5	C2	H6	117.968

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

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

States and conformations

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