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	hartrees
Energy at 0K	-77.444000
Energy at 298.15K	-77.445540
HF Energy	-77.444000
Nuclear repulsion energy	28.385589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3135	2.10
2	A'	3169	3046	5.08
3	A'	3076	2957	2.88
4	A'	1664	1599	2.52
5	A'	1450	1394	9.24
6	A'	1099	1057	9.58
7	A'	750	721	25.75
8	A"	953	916	93.60
9	A"	858	825	20.03

Atom	x (Å)	y (Å)
C1	0.049	0.723
C2	0.049	-0.586
H3	-0.687	1.516
H4	-0.874	-1.174
H5	0.973	-1.164

	C1	C2	H3	H4	H5
C1		1.3098	1.0818	2.1103	2.1012
C2	1.3098		2.2278	1.0946	1.0896
H3	1.0818	2.2278		2.6970	3.1524
H4	2.1103	1.0946	2.6970		1.8476
H5	2.1012	1.0896	3.1524	1.8476

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.479		C1	C2	H5	121.990
C2	C1	H3	137.137		H4	C2	H5	115.530

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3PW91/3-21G

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	-0.179
2	C	-0.506
3	H	0.225
4	H	0.226
5	H	0.234

	x	y	z	Total
	-0.639	-0.282	0.000	0.698
CHELPG
AIM
ESP

	x	y	z
x	2.244	-0.250	0.000
y	-0.250	4.209	0.000
z	0.000	0.000	0.970

<r²>	20.259
(<r²>)^1/2	4.501

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)