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	hartrees
Energy at 0K	-6964.928833
Energy at 298.15K
HF Energy	-6964.928833
Nuclear repulsion energy	188.701410

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'	3409	3077	5.72	73.10	0.44	0.61
2	A'	3391	3061	5.37	105.19	0.44	0.61
3	A'	3317	2994	2.01	131.15	0.21	0.35
4	A'	1804	1628	24.12	12.47	0.16	0.28
5	A'	1573	1419	15.29	29.90	0.47	0.64
6	A'	1411	1274	67.95	18.85	0.27	0.43
7	A'	1144	1033	3.85	4.60	0.71	0.83
8	A'	585	528	10.06	15.60	0.21	0.35
9	A'	338	305	0.18	10.76	0.41	0.58
10	A"	1143	1032	29.26	3.17	0.75	0.86
11	A"	1116	1008	55.75	0.97	0.75	0.86
12	A"	621	560	23.48	12.90	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.464	-1.493
C2	-0.444	-2.440
I3	0.000	0.585
H4	1.517	-1.684
H5	-1.496	-2.237
H6	-0.147	-3.472

	C1	C2	I3	H4	H5	H6
C1		1.3116	2.1291	1.0699	2.0964	2.0715
C2	1.3116		3.0567	2.1011	1.0714	1.0746
I3	2.1291	3.0567		2.7296	3.1935	4.0598
H4	1.0699	2.1011	2.7296		3.0629	2.4424
H5	2.0964	1.0714	3.1935	3.0629		1.8291
H6	2.0715	1.0746	4.0598	2.4424	1.8291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.903	C1	C2	H6	120.161
C2	C1	I3	123.593	C2	C1	H4	123.509
I3	C1	H4	112.898	H5	C2	H6	116.936

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

using model chemistry: HF/3-21G*

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	-0.404
2	C	-0.414
3	I	0.070
4	H	0.268
5	H	0.243
6	H	0.236

	x	y	z	Total
	0.100	-1.580	0.000	1.583
CHELPG
AIM
ESP

	x	y	z
x	5.799	0.709	0.000
y	0.709	10.208	0.000
z	0.000	0.000	3.701

<r²>	118.917
(<r²>)^1/2	10.905

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

using model chemistry: HF/3-21G*

States and conformations

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