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	hartrees
Energy at 0K	-23.865440
Energy at 298.15K
HF Energy	-23.865440
Nuclear repulsion energy	31.182319

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'	3392	3095	13.43	92.25	0.57	0.72
2	A'	3367	3072	8.81	134.78	0.36	0.53
3	A'	3277	2991	3.40	141.93	0.21	0.35
4	A'	1749	1596	37.27	28.14	0.11	0.20
5	A'	1523	1389	17.91	37.73	0.38	0.55
6	A'	1374	1254	75.75	31.77	0.59	0.74
7	A'	1106	1009	7.37	7.88	0.72	0.84
8	A'	560	511	13.25	23.11	0.36	0.53
9	A'	330	302	0.29	17.88	0.63	0.77
10	A"	1113	1016	69.90	8.63	0.75	0.86
11	A"	1077	983	38.66	5.63	0.75	0.86
12	A"	619	565	33.57	4.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.467	-1.483
C2	-0.448	-2.451
I3	0.000	0.585
H4	1.525	-1.667
H5	-1.506	-2.258
H6	-0.134	-3.482

	C1	C2	I3	H4	H5	H6
C1		1.3322	2.1208	1.0734	2.1197	2.0872
C2	1.3322		3.0692	2.1232	1.0749	1.0779
I3	2.1208	3.0692		2.7200	3.2173	4.0696
H4	1.0734	2.1232	2.7200		3.0877	2.4590
H5	2.1197	1.0749	3.2173	3.0877		1.8384
H6	2.0872	1.0779	4.0696	2.4590	1.8384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.073	C1	C2	H6	119.637
C2	C1	I3	123.852	C2	C1	H4	123.567
I3	C1	H4	112.581	H5	C2	H6	117.290

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

using model chemistry: HF/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	-0.526
2	C	-0.199
3	I	0.199
4	H	0.197
5	H	0.168
6	H	0.161

	x	y	z	Total
	0.111	-1.694	0.000	1.698
CHELPG
AIM
ESP

	x	y	z
x	4.641	0.605	0.000
y	0.605	10.548	0.000
z	0.000	0.000	2.170

<r²>	81.306
(<r²>)^1/2	9.017

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

using model chemistry: HF/CEP-121G

States and conformations

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