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	hartrees
Energy at 0K	-77.797167
Energy at 298.15K	-77.798678
HF Energy	-77.797167
Nuclear repulsion energy	28.387254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3136	2.38
2	A'	3207	3056	5.38
3	A'	3108	2963	4.77
4	A'	1688	1609	1.62
5	A'	1414	1348	6.69
6	A'	1073	1023	9.74
7	A'	730	696	22.67
8	A"	928	885	81.45
9	A"	835	796	6.39

Atom	x (Å)	y (Å)
C1	0.049	0.723
C2	0.049	-0.587
H3	-0.686	1.518
H4	-0.879	-1.166
H5	0.972	-1.166

	C1	C2	H3	H4	H5
C1		1.3095	1.0828	2.1050	2.1022
C2	1.3095		2.2292	1.0948	1.0897
H3	1.0828	2.2292		2.6909	3.1547
H4	2.1050	1.0948	2.6909		1.8518
H5	2.1022	1.0897	3.1547	1.8518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.958		C1	C2	H5	122.113
C2	C1	H3	137.234		H4	C2	H5	115.929

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBE1PBE/6-31G**

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	-0.157
2	C	-0.409
3	H	0.188
4	H	0.186
5	H	0.191

	x	y	z	Total
	-0.598	-0.253	0.000	0.649
CHELPG
AIM
ESP

	x	y	z
x	2.446	-0.245	0.000
y	-0.245	4.401	0.000
z	0.000	0.000	1.291

<r²>	20.174
(<r²>)^1/2	4.492

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)