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	hartrees
Energy at 0K	-374.141358
Energy at 298.15K
HF Energy	-374.141358
Nuclear repulsion energy	105.392016

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'	3378	3062	4.94	77.66	0.48	0.65
2	A'	3360	3046	5.11	109.67	0.39	0.56
3	A'	3284	2977	2.84	137.09	0.20	0.33
4	A'	1788	1621	32.05	36.55	0.13	0.23
5	A'	1524	1382	14.20	28.32	0.38	0.55
6	A'	1373	1244	62.35	19.19	0.22	0.37
7	A'	1096	994	3.77	2.69	0.75	0.86
8	A'	585	530	10.94	13.43	0.16	0.28
9	A'	334	303	0.18	10.07	0.38	0.55
10	A"	1091	989	57.91	1.75	0.75	0.86
11	A"	1084	982	5.62	1.68	0.75	0.86
12	A"	608	552	20.99	1.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.460	-1.460
C2	-0.441	-2.409
I3	0.000	0.576
H4	1.513	-1.654
H5	-1.495	-2.212
H6	-0.130	-3.439

	C1	C2	I3	H4	H5	H6
C1		1.3091	2.0876	1.0704	2.0949	2.0645
C2	1.3091		3.0178	2.0951	1.0723	1.0750
I3	2.0876	3.0178		2.6949	3.1634	4.0166
H4	1.0704	2.0951	2.6949		3.0594	2.4257
H5	2.0949	1.0723	3.1634	3.0594		1.8352
H6	2.0645	1.0750	4.0166	2.4257	1.8352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.904	C1	C2	H6	119.656
C2	C1	I3	123.739	C2	C1	H4	123.086
I3	C1	H4	113.175	H5	C2	H6	117.440

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

using model chemistry: HF/Def2TZVPP

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	-0.108
2	C	-0.139
3	I	-0.009
4	H	0.088
5	H	0.083
6	H	0.084

	x	y	z	Total
	0.137	-1.591	0.000	1.597
CHELPG
AIM
ESP

	x	y	z
x	6.797	0.695	0.000
y	0.695	11.330	0.000
z	0.000	0.000	5.464

<r²>	106.278
(<r²>)^1/2	10.309

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

using model chemistry: HF/Def2TZVPP

States and conformations

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