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	hartrees
Energy at 0K	-77.432918
Energy at 298.15K	-77.434407
HF Energy	-77.432918
Nuclear repulsion energy	28.217281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3144	3.04
2	A'	3059	3039	7.54
3	A'	2960	2941	6.31
4	A'	1611	1601	1.95
5	A'	1423	1413	7.71
6	A'	1067	1060	10.17
7	A'	725	720	26.20
8	A"	906	900	82.38
9	A"	796	791	11.81

Atom	x (Å)	y (Å)
C1	0.049	0.727
C2	0.049	-0.589
H3	-0.686	1.530
H4	-0.878	-1.187
H5	0.976	-1.175

	C1	C2	H3	H4	H5
C1		1.3162	1.0885	2.1269	2.1163
C2	1.3162		2.2427	1.1035	1.0971
H3	1.0885	2.2427		2.7233	3.1750
H4	2.1269	1.1035	2.7233		1.8549
H5	2.1163	1.0971	3.1750	1.8549

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.805		C1	C2	H5	122.287
C2	C1	H3	137.498		H4	C2	H5	114.908

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/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	-0.147
2	C	-0.422
3	H	0.185
4	H	0.188
5	H	0.196

	x	y	z	Total
	-0.608	-0.292	0.000	0.674
CHELPG
AIM
ESP

	x	y	z
x	2.308	-0.254	0.000
y	-0.254	4.280	0.000
z	0.000	0.000	0.985

<r²>	20.449
(<r²>)^1/2	4.522

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)