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	hartrees
Energy at 0K	-77.371759
Energy at 298.15K	-77.373305
HF Energy	-77.371759
Nuclear repulsion energy	28.401457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3147	1.89
2	A'	3187	3061	4.16
3	A'	3091	2969	2.19
4	A'	1673	1607	2.59
5	A'	1453	1396	9.54
6	A'	1103	1060	9.53
7	A'	752	723	25.52
8	A"	961	923	94.19
9	A"	868	834	21.18

Atom	x (Å)	y (Å)
C1	0.049	0.723
C2	0.049	-0.586
H3	-0.687	1.515
H4	-0.875	-1.172
H5	0.973	-1.163

	C1	C2	H3	H4	H5
C1		1.3091	1.0812	2.1081	2.1000
C2	1.3091		2.2261	1.0941	1.0890
H3	1.0812	2.2261		2.6929	3.1505
H4	2.1081	1.0941	2.6929		1.8479
H5	2.1000	1.0890	3.1505	1.8479

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.361		C1	C2	H5	121.989
C2	C1	H3	137.071		H4	C2	H5	115.651

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBE1PBE/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	-0.180
2	C	-0.516
3	H	0.228
4	H	0.230
5	H	0.238

	x	y	z	Total
	-0.641	-0.277	0.000	0.698
CHELPG
AIM
ESP

	x	y	z
x	2.232	-0.248	0.000
y	-0.248	4.194	0.000
z	0.000	0.000	0.966

<r²>	20.263
(<r²>)^1/2	4.501

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBE1PBE/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)