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	hartrees
Energy at 0K	-6972.095263
Energy at 298.15K
HF Energy	-6972.095263
Nuclear repulsion energy	186.874912

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'	3192	3192	4.69	75.19	0.59	0.75
2	A'	3164	3164	3.98	108.96	0.31	0.48
3	A'	3095	3095	1.23	156.22	0.22	0.36
4	A'	1615	1615	40.39	5.80	0.12	0.22
5	A'	1433	1433	15.01	25.26	0.41	0.59
6	A'	1275	1275	54.30	11.04	0.32	0.48
7	A'	1026	1026	7.73	4.74	0.68	0.81
8	A'	528	528	13.53	5.90	0.16	0.27
9	A'	308	308	0.22	8.75	0.41	0.58
10	A"	967	967	49.59	0.24	0.75	0.86
11	A"	920	920	27.37	0.37	0.75	0.86
12	A"	548	548	21.27	10.94	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.471	-1.502
C2	-0.451	-2.465
I3	0.000	0.590
H4	1.544	-1.684
H5	-1.520	-2.257
H6	-0.144	-3.513

	C1	C2	I3	H4	H5	H6
C1		1.3337	2.1443	1.0879	2.1293	2.1030
C2	1.3337		3.0880	2.1427	1.0882	1.0921
I3	2.1443	3.0880		2.7484	3.2271	4.1054
H4	1.0879	2.1427	2.7484		3.1166	2.4889
H5	2.1293	1.0882	3.2271	3.1166		1.8626
H6	2.1030	1.0921	4.1054	2.4889	1.8626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.761	C1	C2	H6	119.879
C2	C1	I3	123.528	C2	C1	H4	124.148
I3	C1	H4	112.323	H5	C2	H6	117.360

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

using model chemistry: B97D3/3-21G*

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	-0.343
2	C	-0.398
3	I	0.065
4	H	0.237
5	H	0.222
6	H	0.216

	x	y	z	Total
	0.132	-1.295	0.000	1.302
CHELPG
AIM
ESP

	x	y	z
x	5.866	0.564	0.000
y	0.564	10.605	0.000
z	0.000	0.000	3.807

<r²>	120.222
(<r²>)^1/2	10.965

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

using model chemistry: B97D3/3-21G*

States and conformations

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