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	hartrees
Energy at 0K	-77.895747
Energy at 298.15K	-77.897206
HF Energy	-77.895747
Nuclear repulsion energy	28.363716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3154	1.04
2	A'	3049	3040	5.02
3	A'	2949	2940	8.73
4	A'	1604	1599	1.38
5	A'	1361	1357	7.93
6	A'	1018	1015	9.40
7	A'	687	685	25.15
8	A"	888	886	68.63
9	A"	777	775	15.18

Atom	x (Å)	y (Å)
C1	0.048	0.721
C2	0.048	-0.587
H3	-0.663	1.539
H4	-0.884	-1.170
H5	0.969	-1.174

	C1	C2	H3	H4	H5
C1		1.3080	1.0840	2.1086	2.1076
C2	1.3080		2.2417	1.0994	1.0926
H3	1.0840	2.2417		2.7183	3.1667
H4	2.1086	1.0994	2.7183		1.8529
H5	2.1076	1.0926	3.1667	1.8529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.059		C1	C2	H5	122.537
C2	C1	H3	138.982		H4	C2	H5	115.404

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/cc-pVTZ

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	-0.147
2	C	-0.204
3	H	0.128
4	H	0.105
5	H	0.118

	x	y	z	Total
	-0.592	-0.325	0.000	0.676
CHELPG
AIM
ESP

	x	y	z
x	3.114	-0.141	-0.001
y	-0.141	5.058	-0.000
z	-0.001	-0.000	2.246

<r²>	20.574
(<r²>)^1/2	4.536

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)