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	hartrees
Energy at 0K	-373.635126
Energy at 298.15K
HF Energy	-373.635126
Nuclear repulsion energy	103.371168

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'	3146	3146	2.98	86.07	0.57	0.73
2	A'	3125	3125	2.46	124.86	0.32	0.48
3	A'	3054	3054	1.65	203.74	0.21	0.34
4	A'	1590	1590	48.78	10.75	0.07	0.12
5	A'	1376	1376	13.41	23.39	0.41	0.58
6	A'	1226	1226	54.76	14.03	0.22	0.36
7	A'	977	977	6.03	3.39	0.68	0.81
8	A'	509	509	14.85	6.91	0.11	0.19
9	A'	298	298	0.06	9.63	0.36	0.53
10	A"	944	944	35.03	0.01	0.75	0.86
11	A"	896	896	17.87	0.36	0.75	0.86
12	A"	539	539	17.43	3.86	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.465	-1.495
C2	-0.448	-2.461
I3	0.000	0.588
H4	1.537	-1.668
H5	-1.517	-2.270
H6	-0.125	-3.502

	C1	C2	I3	H4	H5	H6
C1		1.3290	2.1343	1.0856	2.1287	2.0925
C2	1.3290		3.0816	2.1369	1.0867	1.0904
I3	2.1343	3.0816		2.7300	3.2359	4.0924
H4	1.0856	2.1369	2.7300		3.1130	2.4751
H5	2.1287	1.0867	3.2359	3.1130		1.8596
H6	2.0925	1.0904	4.0924	2.4751	1.8596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.265	C1	C2	H6	119.404
C2	C1	I3	124.028	C2	C1	H4	124.196
I3	C1	H4	111.775	H5	C2	H6	117.331

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

using model chemistry: BLYP/cc-pVTZ-PP

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	-0.132
2	C	-0.218
3	I	-0.003
4	H	0.117
5	H	0.119
6	H	0.117

	x	y	z	Total
	0.154	-1.217	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	7.075	0.591	0.000
y	0.591	12.023	0.000
z	0.000	0.000	5.419

<r²>	109.780
(<r²>)^1/2	10.478

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

using model chemistry: BLYP/cc-pVTZ-PP

States and conformations

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