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	hartrees
Energy at 0K	-6968.125296
Energy at 298.15K
HF Energy	-6968.125296
Nuclear repulsion energy	186.560344

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'	3248	3134	4.21	72.57	0.42	0.59
2	A'	3230	3117	2.92	113.93	0.42	0.59
3	A'	3153	3042	0.60	149.64	0.20	0.34
4	A'	1673	1614	43.14	6.57	0.14	0.25
5	A'	1470	1418	14.46	21.78	0.41	0.59
6	A'	1304	1258	66.49	15.42	0.45	0.62
7	A'	1053	1016	6.39	7.00	0.73	0.84
8	A'	531	513	13.14	9.16	0.39	0.56
9	A'	316	305	0.22	10.37	0.51	0.67
10	A"	1007	972	54.83	0.87	0.75	0.86
11	A"	984	949	29.82	0.93	0.75	0.86
12	A"	577	557	22.17	7.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.467	-1.511
C2	-0.447	-2.469
I3	0.000	0.592
H4	1.533	-1.696
H5	-1.512	-2.268
H6	-0.141	-3.512

	C1	C2	I3	H4	H5	H6
C1		1.3238	2.1544	1.0819	2.1188	2.0909
C2	1.3238		3.0929	2.1255	1.0836	1.0871
I3	2.1544	3.0929		2.7543	3.2349	4.1060
H4	1.0819	2.1255	2.7543		3.0982	2.4695
H5	2.1188	1.0836	3.2349	3.0982		1.8511
H6	2.0909	1.0871	4.1060	2.4695	1.8511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.010	C1	C2	H6	119.966
C2	C1	I3	123.796	C2	C1	H4	123.834
I3	C1	H4	112.370	H5	C2	H6	117.025

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

using model chemistry: B3LYP/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	-0.503
2	C	-0.348
3	I	0.186
4	H	0.242
5	H	0.212
6	H	0.210

	x	y	z	Total
	0.149	-1.394	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	4.404	0.391	0.000
y	0.391	9.699	0.000
z	0.000	0.000	2.054

<r²>	120.924
(<r²>)^1/2	10.997

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

using model chemistry: B3LYP/3-21G

States and conformations

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