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	hartrees
Energy at 0K	-375.642885
Energy at 298.15K
HF Energy	-375.642885
Nuclear repulsion energy	105.203927

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'	3249	3249	1.06	84.63	0.59	0.74
2	A'	3219	3219	3.11	117.41	0.28	0.44
3	A'	3152	3152	0.47	159.56	0.18	0.31
4	A'	1666	1666	44.67	23.72	0.08	0.16
5	A'	1408	1408	11.00	21.16	0.39	0.56
6	A'	1261	1261	45.04	12.49	0.23	0.37
7	A'	1004	1004	6.25	2.52	0.75	0.86
8	A'	556	556	11.57	5.81	0.11	0.20
9	A'	312	312	0.14	8.07	0.39	0.56
10	A"	987	987	32.95	0.01	0.75	0.86
11	A"	951	951	25.37	0.68	0.75	0.86
12	A"	564	564	20.19	1.31	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.462	-1.454
C2	-0.444	-2.413
I3	0.000	0.576
H4	1.527	-1.641
H5	-1.508	-2.214
H6	-0.126	-3.450

	C1	C2	I3	H4	H5	H6
C1		1.3194	2.0820	1.0814	2.1117	2.0804
C2	1.3194		3.0216	2.1176	1.0820	1.0847
I3	2.0820	3.0216		2.6916	3.1716	4.0276
H4	1.0814	2.1176	2.6916		3.0892	2.4509
H5	2.1117	1.0820	3.1716	3.0892		1.8538
H6	2.0804	1.0847	4.0276	2.4509	1.8538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.825	C1	C2	H6	119.526
C2	C1	I3	123.776	C2	C1	H4	123.484
I3	C1	H4	112.740	H5	C2	H6	117.649

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

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.120
2	C	-0.195
3	I	-0.003
4	H	0.108
5	H	0.102
6	H	0.109

	x	y	z	Total
	0.146	-1.299	0.000	1.307
CHELPG
AIM
ESP

	x	y	z
x	6.991	0.585	0.000
y	0.585	11.731	0.000
z	0.000	0.000	5.594

<r²>	106.249
(<r²>)^1/2	10.308

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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