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	hartrees
Energy at 0K	-372.624993
Energy at 298.15K
HF Energy	-372.140918
Nuclear repulsion energy	105.492902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3338	1.95
2	A'	3311	3311	4.86
3	A'	3242	3242	0.81
4	A'	1728	1728	29.22
5	A'	1471	1471	11.75
6	A'	1322	1322	47.06
7	A'	1052	1052	3.76
8	A'	585	585	7.72
9	A'	323	323	0.25
10	A"	1040	1040	36.32
11	A"	1013	1013	21.18
12	A"	584	584	17.86

Atom	x (Å)	y (Å)
C1	0.463	-1.452
C2	-0.444	-2.406
I3	0.000	0.574
H4	1.517	-1.652
H5	-1.499	-2.202
H6	-0.132	-3.437

	C1	C2	I3	H4	H5	H6
C1		1.3173	2.0781	1.0730	2.1006	2.0723
C2	1.3173		3.0137	2.1018	1.0743	1.0764
I3	2.0781	3.0137		2.6939	3.1550	4.0130
H4	1.0730	2.1018	2.6939		3.0660	2.4302
H5	2.1006	1.0743	3.1550	3.0660		1.8421
H6	2.0723	1.0764	4.0130	2.4302	1.8421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.558	C1	C2	H6	119.588
C2	C1	I3	123.583	C2	C1	H4	122.791
I3	C1	H4	113.626	H5	C2	H6	117.854

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

using model chemistry: CISD/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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All results from a given calculation for C2H3I (Vinyl iodide)

using model chemistry: CISD/cc-pVTZ-PP

States and conformations

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