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	hartrees
Energy at 0K	-77.758194
Energy at 298.15K	-77.759743
HF Energy	-77.704344
Nuclear repulsion energy	28.278358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3292	2.44
2	A'	3208	3208	10.18
3	A'	3105	3105	5.60
4	A'	1695	1695	2.33
5	A'	1464	1464	6.22
6	A'	1109	1109	8.91
7	A'	761	761	22.95
8	A"	975	975	85.65
9	A"	863	863	18.08

Atom	x (Å)	y (Å)
C1	0.049	0.728
C2	0.049	-0.591
H3	-0.679	1.528
H4	-0.874	-1.177
H5	0.969	-1.170

	C1	C2	H3	H4	H5
C1		1.3186	1.0815	2.1167	2.1091
C2	1.3186		2.2404	1.0933	1.0877
H3	1.0815	2.2404		2.7124	3.1614
H4	2.1167	1.0933	2.7124		1.8437
H5	2.1091	1.0877	3.1614	1.8437

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.427		C1	C2	H5	122.150
C2	C1	H3	137.744		H4	C2	H5	115.424

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/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	-0.109
2	C	-0.348
3	H	0.150
4	H	0.151
5	H	0.156

	x	y	z	Total
	-0.616	-0.246	0.000	0.664
CHELPG
AIM
ESP

	x	y	z
x	2.358	-0.249	0.000
y	-0.249	4.408	0.000
z	0.000	0.000	1.122

<r²>	20.435
(<r²>)^1/2	4.521

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)