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	hartrees
Energy at 0K	-88.578146
Energy at 298.15K
HF Energy	-88.578146
Nuclear repulsion energy	49.574029

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'	3450	3104	14.07	79.02	0.57	0.73
2	A'	3426	3083	13.97	128.30	0.35	0.51
3	A'	3337	3003	4.58	140.04	0.18	0.30
4	A'	1778	1600	40.39	28.36	0.17	0.30
5	A'	1548	1393	16.84	32.00	0.44	0.62
6	A'	1395	1256	79.48	27.28	0.36	0.53
7	A'	1125	1012	8.22	6.07	0.66	0.80
8	A'	554	499	13.85	22.31	0.27	0.42
9	A'	334	300	0.54	18.31	0.55	0.71
10	A"	1146	1031	60.03	10.10	0.75	0.86
11	A"	1095	986	55.55	0.70	0.75	0.86
12	A"	623	561	37.45	1.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.466	-1.485
C2	-0.446	-2.449
I3	0.000	0.585
H4	1.521	-1.671
H5	-1.501	-2.257
H6	-0.138	-3.480

	C1	C2	I3	H4	H5	H6
C1		1.3274	2.1224	1.0710	2.1137	2.0841
C2	1.3274		3.0671	2.1155	1.0723	1.0758
I3	2.1224	3.0671		2.7213	3.2148	4.0674
H4	1.0710	2.1155	2.7213		3.0786	2.4540
H5	2.1137	1.0723	3.2148	3.0786		1.8312
H6	2.0841	1.0758	4.0674	2.4540	1.8312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.130	C1	C2	H6	119.905
C2	C1	I3	123.877	C2	C1	H4	123.426
I3	C1	H4	112.697	H5	C2	H6	116.965

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

using model chemistry: HF/LANL2DZ

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	-0.502
2	C	-0.286
3	I	0.135
4	H	0.237
5	H	0.209
6	H	0.206

	x	y	z	Total
	0.086	-1.689	0.000	1.691
CHELPG
AIM
ESP

	x	y	z
x	4.076	0.464	0.000
y	0.464	10.292	0.000
z	0.000	0.000	1.449

<r²>	98.518
(<r²>)^1/2	9.926

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

using model chemistry: HF/LANL2DZ

States and conformations

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