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	hartrees
Energy at 0K	-77.897181
Energy at 298.15K	-77.898639
HF Energy	-77.897181
Nuclear repulsion energy	28.360768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3153	0.42
2	A'	3048	3037	3.58
3	A'	2949	2939	7.29
4	A'	1600	1595	1.83
5	A'	1360	1355	8.04
6	A'	1015	1011	8.06
7	A'	684	681	23.39
8	A"	890	887	69.92
9	A"	777	774	16.58

Atom	x (Å)	y (Å)
C1	0.048	0.721
C2	0.048	-0.587
H3	-0.661	1.541
H4	-0.884	-1.171
H5	0.969	-1.174

	C1	C2	H3	H4	H5
C1		1.3083	1.0838	2.1087	2.1075
C2	1.3083		2.2432	1.0992	1.0925
H3	1.0838	2.2432		2.7209	3.1671
H4	2.1087	1.0992	2.7209		1.8529
H5	2.1075	1.0925	3.1671	1.8529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.057		C1	C2	H5	122.509
C2	C1	H3	139.168		H4	C2	H5	115.434

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: BLYP/aug-cc-pVTZ

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	-0.554
2	C	-0.457
3	H	0.403
4	H	0.287
5	H	0.320

	x	y	z	Total
	-0.602	-0.352	0.000	0.698
CHELPG
AIM
ESP

	x	y	z
x	3.745	-0.029	0.000
y	-0.029	5.493	0.000
z	0.000	0.000	3.364

<r²>	20.713
(<r²>)^1/2	4.551

All results from a given calculation for C2H3 (vinyl)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)