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	hartrees
Energy at 0K	-12.977320
Energy at 298.15K	-12.978830
HF Energy	-12.977320
Nuclear repulsion energy	15.729114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3105	2.61
2	A'	3140	3060	16.27
3	A'	3026	2949	8.82
4	A'	1592	1551	2.71
5	A'	1404	1368	7.29
6	A'	1055	1028	8.24
7	A'	718	700	26.63
8	A"	938	914	107.46
9	A"	820	799	22.44

Atom	x (Å)	y (Å)
C1	0.066	0.759
C2	0.066	-0.575
H3	-0.658	1.572
H4	-0.862	-1.160
H5	0.994	-1.149

	C1	C2	H3	H4	H5
C1		1.3344	1.0881	2.1318	2.1218
C2	1.3344		2.2657	1.0971	1.0911
H3	1.0881	2.2657		2.7395	3.1828
H4	2.1318	1.0971	2.7395		1.8564
H5	2.1218	1.0911	3.1828	1.8564

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.213		C1	C2	H5	121.721
C2	C1	H3	138.320		H4	C2	H5	116.066

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYP/CEP-121G

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	-0.114
2	C	-0.312
3	H	0.134
4	H	0.143
5	H	0.149

	x	y	z	Total
	-0.701	-0.291	0.000	0.759
CHELPG
AIM
ESP

	x	y	z
x	2.673	-0.172	0.000
y	-0.172	5.049	-0.000
z	0.000	-0.000	1.749

<r²>	19.002
(<r²>)^1/2	4.359

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)