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	hartrees
Energy at 0K	-6967.366667
Energy at 298.15K
HF Energy	-6967.260472
Nuclear repulsion energy	187.293113

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'	3269	3269	2.66	72.72	0.57	0.73
2	A'	3242	3242	4.21	102.37	0.32	0.49
3	A'	3176	3176	0.52	137.03	0.21	0.34
4	A'	1658	1658	28.59	3.34	0.20	0.33
5	A'	1478	1478	15.62	21.69	0.44	0.61
6	A'	1317	1317	56.14	12.03	0.30	0.46
7	A'	1063	1063	6.19	4.63	0.69	0.81
8	A'	549	549	10.86	7.76	0.19	0.32
9	A'	314	314	0.15	8.34	0.41	0.58
10	A"	1011	1011	49.11	0.38	0.75	0.86
11	A"	980	980	23.64	0.42	0.75	0.86
12	A"	568	568	19.80	11.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.471	-1.500
C2	-0.450	-2.459
I3	0.000	0.589
H4	1.536	-1.687
H5	-1.512	-2.251
H6	-0.150	-3.502

	C1	C2	I3	H4	H5	H6
C1		1.3296	2.1414	1.0814	2.1207	2.0955
C2	1.3296		3.0805	2.1311	1.0820	1.0852
I3	2.1414	3.0805		2.7458	3.2172	4.0930
H4	1.0814	2.1311	2.7458		3.1001	2.4770
H5	2.1207	1.0820	3.2172	3.1001		1.8492
H6	2.0955	1.0852	4.0930	2.4770	1.8492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.800	C1	C2	H6	120.066
C2	C1	I3	123.419	C2	C1	H4	123.918
I3	C1	H4	112.663	H5	C2	H6	117.134

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

using model chemistry: B2PLYP=FULL/3-21G*

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: B2PLYP=FULL/3-21G*

States and conformations

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