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	hartrees
Energy at 0K	-88.597332
Energy at 298.15K
HF Energy	-88.597332
Nuclear repulsion energy	49.537384

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'	3449	3106	14.43	79.70	0.53	0.69
2	A'	3428	3087	13.27	127.34	0.36	0.53
3	A'	3336	3004	4.14	143.62	0.19	0.32
4	A'	1779	1602	41.90	30.03	0.14	0.24
5	A'	1549	1395	17.05	31.80	0.43	0.60
6	A'	1392	1254	84.84	31.04	0.32	0.48
7	A'	1124	1012	8.76	5.59	0.65	0.79
8	A'	557	501	15.35	24.17	0.25	0.39
9	A'	334	300	0.54	18.09	0.57	0.73
10	A"	1150	1036	60.94	10.09	0.75	0.86
11	A"	1096	987	58.42	0.86	0.75	0.86
12	A"	625	563	39.11	1.46	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.467	-1.491
C2	-0.447	-2.452
I3	0.000	0.586
H4	1.522	-1.676
H5	-1.502	-2.258
H6	-0.140	-3.483

	C1	C2	I3	H4	H5	H6
C1		1.3267	2.1288	1.0708	2.1129	2.0831
C2	1.3267		3.0712	2.1164	1.0722	1.0759
I3	2.1288	3.0712		2.7262	3.2166	4.0721
H4	1.0708	2.1164	2.7262		3.0789	2.4555
H5	2.1129	1.0722	3.2166	3.0789		1.8315
H6	2.0831	1.0759	4.0721	2.4555	1.8315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	123.128	C1	C2	H6	119.870
C2	C1	I3	123.779	C2	C1	H4	123.604
I3	C1	H4	112.617	H5	C2	H6	117.002

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

using model chemistry: HF/SDD

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	-0.510
2	C	-0.297
3	I	0.148
4	H	0.236
5	H	0.212
6	H	0.211

	x	y	z	Total
	0.084	-1.732	0.000	1.734
CHELPG
AIM
ESP

	x	y	z
x	4.150	0.461	0.000
y	0.461	10.475	0.000
z	0.000	0.000	1.652

<r²>	98.853
(<r²>)^1/2	9.942

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

using model chemistry: HF/SDD

States and conformations

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