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	hartrees
Energy at 0K	-6968.225585
Energy at 298.15K
HF Energy	-6968.225585
Nuclear repulsion energy	187.990708

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'	3278	3278	2.11	77.51	0.48	0.64
2	A'	3257	3257	3.80	109.45	0.39	0.56
3	A'	3183	3183	0.22	122.12	0.18	0.31
4	A'	1704	1704	39.37	7.37	0.12	0.22
5	A'	1482	1482	11.87	20.33	0.44	0.61
6	A'	1325	1325	55.41	16.23	0.43	0.60
7	A'	1074	1074	6.55	6.53	0.73	0.84
8	A'	561	561	9.93	9.81	0.39	0.56
9	A'	327	327	0.14	9.79	0.52	0.68
10	A"	1034	1034	19.38	1.92	0.75	0.86
11	A"	1022	1022	77.27	0.35	0.75	0.86
12	A"	592	592	24.46	7.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.465	-1.493
C2	-0.446	-2.451
I3	0.000	0.587
H4	1.529	-1.692
H5	-1.510	-2.249
H6	-0.137	-3.492

	C1	C2	I3	H4	H5	H6
C1		1.3220	2.1311	1.0822	2.1151	2.0879
C2	1.3220		3.0702	2.1158	1.0836	1.0859
I3	2.1311	3.0702		2.7439	3.2124	4.0811
H4	1.0822	2.1158	2.7439		3.0900	2.4531
H5	2.1151	1.0836	3.2124	3.0900		1.8526
H6	2.0879	1.0859	4.0811	2.4531	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.791	C1	C2	H6	119.925
C2	C1	I3	123.831	C2	C1	H4	122.982
I3	C1	H4	113.188	H5	C2	H6	117.284

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

using model chemistry: wB97X-D/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	-0.566
2	C	-0.390
3	I	0.214
4	H	0.269
5	H	0.237
6	H	0.236

	x	y	z	Total
	0.140	-1.427	0.000	1.434
CHELPG
AIM
ESP

	x	y	z
x	4.391	0.403	0.000
y	0.403	9.414	0.000
z	0.000	0.000	2.047

<r²>	119.439
(<r²>)^1/2	10.929

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

using model chemistry: wB97X-D/3-21G

States and conformations

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