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	hartrees
Energy at 0K	-24.494819
Energy at 298.15K
HF Energy	-24.494819
Nuclear repulsion energy	30.860124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3216	3134	12.03	96.65	0.62	0.77
2	A'	3183	3102	7.05	146.19	0.29	0.45
3	A'	3101	3021	2.51	174.11	0.21	0.35
4	A'	1611	1570	48.53	15.24	0.04	0.08
5	A'	1410	1374	15.43	30.01	0.33	0.50
6	A'	1261	1229	62.85	21.37	0.67	0.80
7	A'	1012	986	10.88	8.01	0.72	0.84
8	A'	517	503	17.38	10.46	0.45	0.62
9	A'	305	297	0.40	14.90	0.66	0.80
10	A"	978	954	100.31	0.01	0.75	0.86
11	A"	944	920	8.27	5.36	0.75	0.86
12	A"	559	545	27.69	3.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.473	-1.497
C2	-0.455	-2.474
I3	0.000	0.590
H4	1.545	-1.673
H5	-1.524	-2.277
H6	-0.134	-3.516

	C1	C2	I3	H4	H5	H6
C1		1.3472	2.1405	1.0863	2.1439	2.1087
C2	1.3472		3.0978	2.1545	1.0868	1.0906
I3	2.1405	3.0978		2.7403	3.2473	4.1090
H4	1.0863	2.1545	2.7403		3.1279	2.4942
H5	2.1439	1.0868	3.2473	3.1279		1.8614
H6	2.1087	1.0906	4.1090	2.4942	1.8614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.120	C1	C2	H6	119.388
C2	C1	I3	123.691	C2	C1	H4	124.241
I3	C1	H4	112.068	H5	C2	H6	117.491

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

using model chemistry: B3LYP/CEP-121G

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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Number	Element	Mulliken
1	C	-0.452
2	C	-0.203
3	I	0.168
4	H	0.183
5	H	0.154
6	H	0.149

	x	y	z	Total
	0.154	-1.424	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	4.752	0.436	0.000
y	0.436	10.896	0.000
z	0.000	0.000	2.217

<r²>	82.313
(<r²>)^1/2	9.073

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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