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	hartrees
Energy at 0K	-77.883920
Energy at 298.15K	-77.885381
HF Energy	-77.883920
Nuclear repulsion energy	28.387374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3142	1.07
2	A'	3079	3037	5.79
3	A'	2986	2945	7.36
4	A'	1617	1595	1.47
5	A'	1365	1346	8.06
6	A'	1022	1008	9.53
7	A'	691	682	23.93
8	A"	892	880	71.52
9	A"	783	772	16.08

Atom	x (Å)	y (Å)
C1	0.048	0.721
C2	0.048	-0.587
H3	-0.669	1.533
H4	-0.880	-1.171
H5	0.971	-1.169

	C1	C2	H3	H4	H5
C1		1.3076	1.0831	2.1074	2.1032
C2	1.3076		2.2373	1.0971	1.0914
H3	1.0831	2.2373		2.7116	3.1604
H4	2.1074	1.0971	2.7116		1.8518
H5	2.1032	1.0914	3.1604	1.8518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.174		C1	C2	H5	122.237
C2	C1	H3	138.531		H4	C2	H5	115.589

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B97D3/Def2TZVPP

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	-0.128
2	C	-0.143
3	H	0.085
4	H	0.093
5	H	0.093

	x	y	z	Total
	-0.598	-0.327	0.000	0.682
CHELPG
AIM
ESP

	x	y	z
x	3.142	-0.121	0.000
y	-0.121	5.168	0.000
z	0.000	0.000	2.599

<r²>	20.484
(<r²>)^1/2	4.526

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)