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	hartrees
Energy at 0K	-77.475984
Energy at 298.15K	-77.477521
HF Energy	-77.475984
Nuclear repulsion energy	28.404654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3138	2.08
2	A'	3154	3043	5.97
3	A'	3061	2954	3.75
4	A'	1663	1605	2.26
5	A'	1458	1407	8.23
6	A'	1101	1062	9.93
7	A'	750	724	25.17
8	A"	951	918	83.82
9	A"	849	819	18.69

Atom	x (Å)	y (Å)
C1	0.049	0.723
C2	0.049	-0.586
H3	-0.683	1.518
H4	-0.873	-1.175
H5	0.971	-1.165

	C1	C2	H3	H4	H5
C1		1.3086	1.0809	2.1101	2.1010
C2	1.3086		2.2278	1.0943	1.0889
H3	1.0809	2.2278		2.7005	3.1521
H4	2.1101	1.0943	2.7005		1.8441
H5	2.1010	1.0889	3.1521	1.8441

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.593		C1	C2	H5	122.136
C2	C1	H3	137.406		H4	C2	H5	115.270

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.161
2	C	-0.455
3	H	0.202
4	H	0.203
5	H	0.210

	x	y	z	Total
	-0.620	-0.273	0.000	0.678
CHELPG
AIM
ESP	-0.619	-0.270	0.000	0.675

	x	y	z
x	2.243	-0.256	0.000
y	-0.256	4.210	-0.000
z	0.000	-0.000	0.963

<r²>	20.273
(<r²>)^1/2	4.503

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)