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	hartrees
Energy at 0K	-77.887809
Energy at 298.15K	-77.889273
HF Energy	-77.887809
Nuclear repulsion energy	28.400724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	0.78
2	A'	3075	3075	5.23
3	A'	2981	2981	7.90
4	A'	1613	1613	1.54
5	A'	1364	1364	8.07
6	A'	1022	1022	9.29
7	A'	691	691	22.67
8	A"	893	893	70.72
9	A"	783	783	16.32

Atom	x (Å)	y (Å)
C1	0.048	0.721
C2	0.048	-0.586
H3	-0.667	1.533
H4	-0.881	-1.169
H5	0.970	-1.169

	C1	C2	H3	H4	H5
C1		1.3071	1.0823	2.1059	2.1025
C2	1.3071		2.2367	1.0965	1.0907
H3	1.0823	2.2367		2.7106	3.1592
H4	2.1059	1.0965	2.7106		1.8510
H5	2.1025	1.0907	3.1592	1.8510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.116		C1	C2	H5	122.266
C2	C1	H3	138.621		H4	C2	H5	115.618

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B97D3/aug-cc-pVQZ

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	-0.457
2	C	-0.748
3	H	0.381
4	H	0.422
5	H	0.401

	x	y	z	Total
	-0.585	-0.329	0.000	0.671
CHELPG
AIM
ESP

	x	y	z
x	3.659	-0.062	0.000
y	-0.062	5.357	0.000
z	0.000	0.000	3.324

<r²>	20.525
(<r²>)^1/2	4.530

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)