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	hartrees
Energy at 0K	-77.921234
Energy at 298.15K	-77.922731
HF Energy	-77.921234
Nuclear repulsion energy	28.448856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3120	1.89
2	A'	3136	3030	8.38
3	A'	3039	2936	8.90
4	A'	1655	1599	1.89
5	A'	1403	1355	8.15
6	A'	1063	1027	9.95
7	A'	724	699	25.40
8	A"	915	884	86.24
9	A"	809	782	14.30

Atom	x (Å)	y (Å)
C1	0.049	0.720
C2	0.049	-0.585
H3	-0.679	1.520
H4	-0.878	-1.166
H5	0.969	-1.167

	C1	C2	H3	H4	H5
C1		1.3051	1.0816	2.1021	2.0993
C2	1.3051		2.2275	1.0945	1.0888
H3	1.0816	2.2275		2.6940	3.1521
H4	2.1021	1.0945	2.6940		1.8477
H5	2.0993	1.0888	3.1521	1.8477

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.087		C1	C2	H5	122.296
C2	C1	H3	137.714		H4	C2	H5	115.617

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/6-311G*

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	-0.215
2	C	-0.445
3	H	0.223
4	H	0.214
5	H	0.223

	x	y	z	Total
	-0.637	-0.293	0.000	0.701
CHELPG
AIM
ESP

	x	y	z
x	2.644	-0.182	0.000
y	-0.182	4.700	0.000
z	0.000	0.000	1.709

<r²>	20.370
(<r²>)^1/2	4.513

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)