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	hartrees
Energy at 0K	-6929.503347
Energy at 298.15K
HF Energy	-6929.503347
Nuclear repulsion energy	190.010483

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'	3593	3169	2.23	49.70	0.70	0.83
2	A'	3498	3085	2.76	55.78	0.28	0.44
3	A'	3436	3031	38.74	43.18	0.18	0.30
4	A'	1827	1612	24.33	6.17	0.10	0.18
5	A'	1547	1364	10.98	18.94	0.51	0.67
6	A'	1395	1231	30.75	11.49	0.48	0.65
7	A'	1102	972	7.46	4.75	0.73	0.85
8	A'	622	549	13.51	6.43	0.28	0.44
9	A'	339	299	0.34	5.39	0.52	0.69
10	A"	1091	963	16.12	0.70	0.75	0.86
11	A"	1007	888	17.73	0.22	0.75	0.86
12	A"	603	532	2.87	3.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.458	-1.454
C2	-0.440	-2.435
I3	0.000	0.580
H4	1.531	-1.676
H5	-1.520	-2.259
H6	-0.118	-3.482

	C1	C2	I3	H4	H5	H6
C1		1.3308	2.0847	1.0963	2.1354	2.1091
C2	1.3308		3.0476	2.1127	1.0940	1.0953
I3	2.0847	3.0476		2.7272	3.2200	4.0643
H4	1.0963	2.1127	2.7272		3.1062	2.4460
H5	2.1354	1.0940	3.2200	3.1062		1.8607
H6	2.1091	1.0953	4.0643	2.4460	1.8607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.144	C1	C2	H6	120.454
C2	C1	I3	124.856	C2	C1	H4	120.721
I3	C1	H4	114.423	H5	C2	H6	116.402

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

using model chemistry: PBE1PBE/STO-3G

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	-0.178
2	C	-0.164
3	I	0.055
4	H	0.102
5	H	0.092
6	H	0.093

	x	y	z	Total
	0.261	-1.289	0.000	1.315
CHELPG
AIM
ESP

	x	y	z
x	2.237	0.247	0.000
y	0.247	5.858	0.000
z	0.000	0.000	0.627

<r²>	116.443
(<r²>)^1/2	10.791

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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