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	hartrees
Energy at 0K	-24.487010
Energy at 298.15K
HF Energy	-24.487010
Nuclear repulsion energy	30.684856

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'	3258	3155	16.84	93.26	0.50	0.67
2	A'	3222	3120	11.55	147.92	0.36	0.53
3	A'	3148	3048	4.34	155.00	0.23	0.38
4	A'	1640	1588	45.89	20.79	0.08	0.15
5	A'	1407	1362	12.59	25.61	0.45	0.62
6	A'	1254	1214	62.92	22.40	0.64	0.78
7	A'	1003	971	12.85	5.76	0.37	0.54
8	A'	517	501	18.82	8.98	0.48	0.65
9	A'	302	293	0.40	17.04	0.63	0.78
10	A"	976	945	136.16	1.03	0.75	0.86
11	A"	938	909	4.45	14.80	0.75	0.86
12	A"	554	536	28.97	3.65	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.480	-1.494
C2	-0.462	-2.482
I3	0.000	0.591
H4	1.558	-1.673
H5	-1.536	-2.282
H6	-0.135	-3.530

	C1	C2	I3	H4	H5	H6
C1		1.3656	2.1399	1.0923	2.1647	2.1268
C2	1.3656		3.1082	2.1759	1.0926	1.0974
I3	2.1399	3.1082		2.7485	3.2578	4.1233
H4	1.0923	2.1759	2.7485		3.1531	2.5125
H5	2.1647	1.0926	3.2578	3.1531		1.8764
H6	2.1268	1.0974	4.1233	2.5125	1.8764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.046	C1	C2	H6	119.025
C2	C1	I3	123.397	C2	C1	H4	124.194
I3	C1	H4	112.410	H5	C2	H6	117.929

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

using model chemistry: B3LYP/CEP-31G

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	-0.261
3	I	0.106
4	H	0.262
5	H	0.235
6	H	0.184

	x	y	z	Total
	0.154	-1.549	0.000	1.557
CHELPG
AIM
ESP

	x	y	z
x	4.494	0.533	0.000
y	0.533	10.581	0.000
z	0.000	0.000	2.058

<r²>	82.553
(<r²>)^1/2	9.086

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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