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	hartrees
Energy at 0K	-6929.687488
Energy at 298.15K
HF Energy	-6929.687488
Nuclear repulsion energy	187.347179

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'	3432	3175	0.24	54.53	0.70	0.82
2	A'	3334	3084	1.61	60.98	0.28	0.44
3	A'	3282	3037	23.53	51.01	0.18	0.31
4	A'	1716	1587	25.78	6.92	0.20	0.34
5	A'	1490	1378	16.89	19.70	0.45	0.62
6	A'	1346	1246	27.63	12.80	0.44	0.61
7	A'	1064	985	6.49	4.96	0.74	0.85
8	A'	580	536	14.03	6.25	0.29	0.45
9	A'	324	299	0.30	6.12	0.51	0.68
10	A"	1028	951	16.60	0.60	0.75	0.86
11	A"	925	855	15.02	0.15	0.75	0.86
12	A"	567	525	2.92	3.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.463	-1.474
C2	-0.446	-2.473
I3	0.000	0.589
H4	1.548	-1.696
H5	-1.536	-2.297
H6	-0.117	-3.529

	C1	C2	I3	H4	H5	H6
C1		1.3502	2.1146	1.1072	2.1620	2.1350
C2	1.3502		3.0938	2.1397	1.1043	1.1060
I3	2.1146	3.0938		2.7601	3.2693	4.1194
H4	1.1072	2.1397	2.7601		3.1421	2.4764
H5	2.1620	1.1043	3.2693	3.1421		1.8787
H6	2.1350	1.1060	4.1194	2.4764	1.8787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.174	C1	C2	H6	120.413
C2	C1	I3	125.023	C2	C1	H4	120.759
I3	C1	H4	114.218	H5	C2	H6	116.413

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

using model chemistry: BLYP/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	-0.172
2	C	-0.153
3	I	0.067
4	H	0.091
5	H	0.083
6	H	0.084

	x	y	z	Total
	0.238	-1.026	0.000	1.053
CHELPG
AIM
ESP

	x	y	z
x	2.311	0.231	0.000
y	0.231	6.311	0.000
z	0.000	0.000	0.663

<r²>	119.231
(<r²>)^1/2	10.919

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

using model chemistry: BLYP/STO-3G

States and conformations

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