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	hartrees
Energy at 0K	-6929.232939
Energy at 298.15K
HF Energy	-6929.186065
Nuclear repulsion energy	188.978258

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'	3582	3582	0.86	50.31	0.70	0.82
2	A'	3481	3481	2.64	58.90	0.26	0.42
3	A'	3427	3427	25.91	44.51	0.18	0.30
4	A'	1784	1784	16.76	4.86	0.39	0.56
5	A'	1550	1550	16.46	16.04	0.51	0.68
6	A'	1401	1401	32.71	12.07	0.46	0.63
7	A'	1107	1107	4.88	4.99	0.73	0.85
8	A'	616	616	11.47	7.95	0.29	0.45
9	A'	336	336	0.31	5.50	0.52	0.68
10	A"	1094	1094	13.17	0.72	0.75	0.86
11	A"	994	994	13.73	0.16	0.75	0.86
12	A"	594	594	2.09	3.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.462	-1.461
C2	-0.443	-2.450
I3	0.000	0.583
H4	1.536	-1.692
H5	-1.524	-2.269
H6	-0.123	-3.499

	C1	C2	I3	H4	H5	H6
C1		1.3400	2.0962	1.0985	2.1438	2.1195
C2	1.3400		3.0652	2.1192	1.0959	1.0970
I3	2.0962	3.0652		2.7450	3.2341	4.0839
H4	1.0985	2.1192	2.7450		3.1139	2.4525
H5	2.1438	1.0959	3.2341	3.1139		1.8645
H6	2.1195	1.0970	4.0839	2.4525	1.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.997	C1	C2	H6	120.522
C2	C1	I3	124.797	C2	C1	H4	120.371
I3	C1	H4	114.832	H5	C2	H6	116.481

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

using model chemistry: B2PLYP/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	-0.165
2	C	-0.141
3	I	0.059
4	H	0.088
5	H	0.079
6	H	0.080

	x	y	z	Total
	0.245	-1.190	0.000	1.215
CHELPG
AIM
ESP

	x	y	z
x	2.245	0.211	0.000
y	0.211	5.841	0.000
z	0.000	0.000	0.604

<r²>	117.566
(<r²>)^1/2	10.843

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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