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	hartrees
Energy at 0K	-77.911840
Energy at 298.15K	-77.913346
HF Energy	-77.911840
Nuclear repulsion energy	28.339650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3121	3.37
2	A'	3179	3048	8.41
3	A'	3075	2948	7.61
4	A'	1659	1591	1.42
5	A'	1414	1355	5.09
6	A'	1076	1031	10.21
7	A'	730	700	20.99
8	A"	926	887	76.88
9	A"	821	787	4.20

Atom	x (Å)	y (Å)
C1	0.049	0.725
C2	0.049	-0.589
H3	-0.685	1.520
H4	-0.879	-1.168
H5	0.971	-1.168

	C1	C2	H3	H4	H5
C1		1.3135	1.0828	2.1081	2.1050
C2	1.3135		2.2332	1.0944	1.0886
H3	1.0828	2.2332		2.6948	3.1573
H4	2.1081	1.0944	2.6948		1.8505
H5	2.1050	1.0886	3.1573	1.8505

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.945		C1	C2	H5	122.126
C2	C1	H3	137.260		H4	C2	H5	115.929

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: TPSSh/6-31G**

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	-0.129
2	C	-0.295
3	H	0.144
4	H	0.137
5	H	0.143

	x	y	z	Total
	-0.577	-0.252	0.000	0.630
CHELPG
AIM
ESP

	x	y	z
x	2.508	-0.256	0.000
y	-0.256	4.475	0.000
z	0.000	0.000	1.330

<r²>	20.213
(<r²>)^1/2	4.496

All results from a given calculation for C2H3 (vinyl)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)