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	hartrees
Energy at 0K	-12.996791
Energy at 298.15K	-12.998273
HF Energy	-12.996791
Nuclear repulsion energy	15.816483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3105	2.64
2	A'	3144	3048	10.43
3	A'	3038	2945	9.65
4	A'	1614	1565	1.74
5	A'	1388	1346	5.76
6	A'	1055	1022	8.44
7	A'	720	697	22.27
8	A"	907	879	99.94
9	A"	789	765	10.37

Atom	x (Å)	y (Å)
C1	0.068	0.753
C2	0.068	-0.568
H3	-0.673	1.549
H4	-0.866	-1.145
H5	0.994	-1.146

	C1	C2	H3	H4	H5
C1		1.3208	1.0875	2.1155	2.1130
C2	1.3208		2.2429	1.0980	1.0920
H3	1.0875	2.2429		2.7015	3.1692
H4	2.1155	1.0980	2.7015		1.8601
H5	2.1130	1.0920	3.1692	1.8601

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.730		C1	C2	H5	121.982
C2	C1	H3	137.075		H4	C2	H5	116.287

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	-0.160
2	C	-0.358
3	H	0.172
4	H	0.168
5	H	0.177

	x	y	z	Total
	-0.663	-0.301	0.000	0.729
CHELPG
AIM
ESP

	x	y	z
x	2.787	-0.180	-0.000
y	-0.180	5.006	-0.000
z	-0.000	-0.000	1.892

<r²>	18.797
(<r²>)^1/2	4.336

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)