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	hartrees
Energy at 0K	-77.792078
Energy at 298.15K	-77.793513
HF Energy	-77.792078
Nuclear repulsion energy	28.100197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3158	1.59
2	A'	3087	3069	3.25
3	A'	2978	2961	4.10
4	A'	1625	1615	1.51
5	A'	1314	1306	8.88
6	A'	998	992	10.43
7	A'	672	668	24.87
8	A"	867	862	68.68
9	A"	768	763	6.39

Atom	x (Å)	y (Å)
C1	0.049	0.727
C2	0.049	-0.592
H3	-0.683	1.545
H4	-0.894	-1.179
H5	0.984	-1.180

	C1	C2	H3	H4	H5
C1		1.3189	1.0982	2.1269	2.1245
C2	1.3189		2.2590	1.1112	1.1050
H3	1.0982	2.2590		2.7325	3.1954
H4	2.1269	1.1112	2.7325		1.8782
H5	2.1245	1.1050	3.1954	1.8782

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.916		C1	C2	H5	122.194
C2	C1	H3	138.147		H4	C2	H5	115.890

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.113
2	C	-0.055
3	H	0.053
4	H	0.056
5	H	0.059

	x	y	z	Total
	-0.570	-0.291	0.000	0.640
CHELPG
AIM
ESP

	x	y	z
x	2.750	-0.234	0.000
y	-0.234	4.758	0.000
z	0.000	0.000	1.591

<r²>	20.584
(<r²>)^1/2	4.537

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)