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	hartrees
Energy at 0K	-76.878343
Energy at 298.15K	-76.879782
HF Energy	-76.878343
Nuclear repulsion energy	27.926738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3346	3096	0.73
2	A'	3325	3076	2.21
3	A'	3205	2965	11.41
4	A'	1698	1571	3.99
5	A'	1484	1373	2.65
6	A'	1138	1053	6.82
7	A'	774	716	9.92
8	A"	940	870	36.42
9	A"	841	778	0.05

Atom	x (Å)	y (Å)
C1	0.053	0.738
C2	0.053	-0.592
H3	-0.752	1.501
H4	-0.879	-1.199
H5	0.992	-1.181

	C1	C2	H3	H4	H5
C1		1.3299	1.1094	2.1501	2.1363
C2	1.3299		2.2425	1.1130	1.1083
H3	1.1094	2.2425		2.7034	3.1992
H4	2.1501	1.1130	2.7034		1.8715
H5	2.1363	1.1083	3.1992	1.8715

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	123.082		C1	C2	H5	122.104
C2	C1	H3	133.453		H4	C2	H5	114.815

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/STO-3G

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	-0.060
2	C	-0.183
3	H	0.080
4	H	0.081
5	H	0.082

	x	y	z	Total
	-0.406	-0.099	0.000	0.418
CHELPG
AIM
ESP

	x	y	z
x	1.320	-0.265	0.000
y	-0.265	2.599	0.000
z	0.000	0.000	0.449

<r²>	19.999
(<r²>)^1/2	4.472

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)