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	hartrees
Energy at 0K	-77.792079
Energy at 298.15K	-77.793514
HF Energy	-77.792079
Nuclear repulsion energy	28.100548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3158	1.61
2	A'	3086	3068	3.23
3	A'	2977	2960	4.07
4	A'	1625	1615	1.51
5	A'	1314	1306	8.90
6	A'	998	993	10.47
7	A'	673	669	24.73
8	A"	867	862	68.77
9	A"	768	764	6.29

Atom	x (Å)	y (Å)
C1	0.050	0.727
C2	0.050	-0.592
H3	-0.685	1.544
H4	-0.894	-1.179
H5	0.984	-1.180

	C1	C2	H3	H4	H5
C1		1.3189	1.0983	2.1267	2.1246
C2	1.3189		2.2584	1.1112	1.1049
H3	1.0983	2.2584		2.7309	3.1952
H4	2.1267	1.1112	2.7309		1.8783
H5	2.1246	1.1049	3.1952	1.8783

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.893		C1	C2	H5	122.210
C2	C1	H3	138.056		H4	C2	H5	115.897

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBEPBEultrafine/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	-0.292	0.000	0.641
CHELPG
AIM
ESP

	x	y	z
x	2.751	-0.235	0.000
y	-0.235	4.756	0.000
z	0.000	0.000	1.591

<r²>	20.583
(<r²>)^1/2	4.537

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)